SCHEMBL858456

SCHEMBL858456

Nc1cc(Br)ncc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 7/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
CTSB P07858 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR35 Q9HC97 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17901833 0.85 MAPT (0.46) TDP1TSHRALDH1A1CYP3A4MAPT
SCHEMBL5252473 0.80 TDP1 (0.48) TDP1TSHRALDH1A1CYP3A4MAPT
SCHEMBL482094 0.80 AAK1 (0.41) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL29738282 0.80 AAK1 (0.41) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL11797396 0.78 TDP1 (0.47) TDP1TSHRALDH1A1CYP3A4MAPT
Ammonia Solution, Strong SCHEMBL28172715 0.78 AAK1 (0.41) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL8781226 0.77 TDP1 (0.48) TDP1TSHRALDH1A1CYP3A4MAPT
SCHEMBL619628 0.77 TSHR (0.46) TDP1TSHRALDH1A1CYP3A4MAPT
SCHEMBL8196280 0.77 ALDH1A1 (0.35) ALDH1A1CYP3A4MAPTMEN1POLB
SCHEMBL31571462 0.77 GPR35 (0.46) TDP1TSHRALDH1A1CYP3A4MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12145925-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer ATLASMEDX, INC. (US) 2024-11-19 US disclosed
CN-114644627-B AhR inhibitors and uses thereof 山东轩竹医药科技有限公司 2024-06-11 CN disclosed
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 US disclosed
CN-111615388-B Immunotherapeutic agent for cancer 斯汀格瑞治疗股份有限公司 2023-11-14 CN disclosed
EP-3475272-B1 PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER UNIV CALIFORNIA (US) 2023-09-13 EP disclosed
EP-3658138-B1 SUBSTITUTED-3H-IMIDAZO(4,5-C)PYRIDINE AND 1H-PYRROLO(2,3-C)PYRIDINE SERIES OF NOVEL ECTONUCLEOTIDE PYROPHSPHATASE/PHOSPHODIESTRASE-1 (ENPP1) AND STIMULATOR FOR INTERFERON GENES (STING) MODULATOR AS CANCER IMMUNOTHERAPEUTICS STINGRAY THERAPEUTICS INC (US) 2023-04-19 EP disclosed
US-20220402894-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer ATLASMEDX, INC. 2022-12-22 US disclosed
CN-114644627-A AhR inhibitor and application thereof 山东轩竹医药科技有限公司 2022-06-21 CN disclosed
US-11142524-B2 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and stimulator for interferon genes (STING) modulators as cancer immunotherapeutics Stingray Therapeutics, Inc. (US) 2021-10-12 US disclosed
US-11072600-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-27 US disclosed
WO-2011109587-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-09-09 WO disclosed
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-09-08 US disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed
US-7547779-B2 Preparation of 1,6-disubstituted azabenzimidazoles as kinase inhibitors GLAXO GROUP LIMITED (GB) 2009-06-16 US disclosed
EP-1675552-A4 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2009-06-03 EP disclosed
CN-101384593-A 3-deazapurine derivatives as tlr7 modulators PFIZER LTD (GB) 2009-03-11 CN disclosed
US-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-09-25 US disclosed
EP-1675552-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005037197-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA TDP1 4064/4885TSHR 3801/4885ALDH1A1 3395/4885
US-20220402894-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer PARP2, PARP12, PARP1 TDP1 156/4885TSHR 4610/4885ALDH1A1 1089/4885
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 TDP1 941/4885TSHR 4420/4885ALDH1A1 2566/4885
US-11072600-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer PARP2, PARP12, PARP1 TDP1 156/4885TSHR 4610/4885ALDH1A1 1089/4885
US-12145925-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer PARP2, PARP12, PARP1 TDP1 156/4885TSHR 4610/4885ALDH1A1 1089/4885
US-11142524-B2 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and stimulator for interferon genes (STING) modulators as cancer immunotherapeutics STING1, ENPP1, CGAS TDP1 55/4885TSHR 3344/4885ALDH1A1 3527/4885
US-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors TNK2, ROCK1, ARHGDIB TDP1 1348/4885TSHR 3925/4885ALDH1A1 4395/4885
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 TDP1 2049/4885TSHR 3686/4885ALDH1A1 2666/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.