SCHEMBL1564582

SCHEMBL1564582

Cc1nc(N)c([N+](=O)[O-])cc1Br

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 4/20 0.44
CTSB P07858 1/20 0.44
TSHR P16473 3/20 0.41
CYP1A2 P05177 1/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TYMS P04818 3/20 0.36
GPR35 Q9HC97 1/20 0.36
LMNA P02545 2/20 0.36
GALR2 O43603 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL16653830 0.86 ALDH1A1 (0.44) ALDH1A1CYP3A4CTSBTSHRCYP1A2
SCHEMBL38665481 0.83 CYP1A2 (0.44) ALDH1A1CYP3A4CTSBTSHRCYP1A2
SCHEMBL29760183 0.83 TSHR (0.48) ALDH1A1CYP3A4TSHRCYP1A2RECQL
SCHEMBL7006546 0.83 TSHR (0.48) ALDH1A1CYP3A4TSHRCYP1A2RECQL
SCHEMBL28825412 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRCYP1A2RECQL
SCHEMBL4051209 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4CTSBTSHRCYP1A2
SCHEMBL15515029 0.81 CYP1A2 (0.43) ALDH1A1CYP3A4CTSBTSHRCYP1A2
SCHEMBL14546835 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4CTSBTSHRCYP2D6
SCHEMBL24549836 0.79 ALDH1A1 (0.44) ALDH1A1CYP3A4CTSBTSHRTDP1
SCHEMBL30987771 0.79 ALDH1A1 (0.44) ALDH1A1CYP3A4CTSBTSHRCYP2D6

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 41 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
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
WO-2023118267-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2023-06-29 WO disclosed
WO-2023118267-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2023-06-29 WO 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-109843874-B Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer 加利福尼亚大学董事会 2022-05-27 CN 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
US-10640493-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) 2020-05-05 US disclosed
WO-2019234160-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2019-12-12 WO disclosed
US-20190352283-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer ATLASMEDX, INC. 2019-11-21 US disclosed
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers SPIROGEN LIMITED (GB) 2007-10-25 US disclosed
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers SPIROGEN LIMITED (GB) 2007-10-25 US disclosed
EP-0743943-B1 PYRIDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2001-10-31 EP disclosed
EP-0765328-B1 PIRYDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2000-08-30 EP disclosed
US-5849753-A Pyridyl imidazole derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1998-12-15 US disclosed
US-5691348-A INHIBITORS OF ANGIOTENSIN II AS HYPOTENSIVE AGENTS FORMED IN MULTISTAGE PROCESS BY CONDENSATION WITH A CARBOXYLIC ACID, REACTION IN PRESENCE OF BASE, REACTION IN THE PRESENCE OF TETRAKIS/TRIPHENYLPHOSPHINE/PALLADIUM AND OXIDATION DAEWOO ELECTRONICS CO., LTD. (KR) 1997-11-25 US disclosed
EP-0765328-A1 PIRYDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-04-02 EP disclosed
EP-0743943-A1 PYRIDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-11-27 EP disclosed
WO-1995034564-A1 PIRYDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-12-21 WO disclosed
WO-1995021838-A1 PYRIDYL IMIDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-08-17 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 (6 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-20220402894-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer PARP2, PARP12, PARP1 ALDH1A1 1089/4885CYP3A4 3102/4885CTSB 2265/4885
US-10640493-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer PARP2, PARP12, PARP1 ALDH1A1 1526/4885CYP3A4 3698/4885CTSB 1953/4885
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers PCNA, POLL, DNA2 ALDH1A1 2474/4885CYP3A4 2940/4885CTSB 2853/4885
US-11072600-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer PARP2, PARP12, PARP1 ALDH1A1 1089/4885CYP3A4 3102/4885CTSB 2265/4885
US-12145925-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer PARP2, PARP12, PARP1 ALDH1A1 1089/4885CYP3A4 3102/4885CTSB 2265/4885
US-20190352283-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer PARP2, PARP12, PARP1 ALDH1A1 1526/4885CYP3A4 3698/4885CTSB 1953/4885

“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.