Sugi Predict

Sugi Predict / Compounds / SCHEMBL1334205

SCHEMBL1334205

SCHEMBL1334205

N#Cc1cc(Oc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ MERTK Q12866 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ TTR P02766 1/20 0.43
▸ ALB P02768 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ VCAM1 P19320 1/20 0.43
▸ TLR4 O00206 3/20 0.43
▸ TLR2 O60603 3/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ GRIA1 P42261 2/20 0.41
▸ GRIA2 P42262 2/20 0.41
▸ GRIA3 P42263 2/20 0.41
▸ GRIA4 P48058 2/20 0.41

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
SCHEMBL1333357 1.00 KDM4E (0.47) KDM4EALDH1A1MERTKHPGDMEN1
SCHEMBL11475898 0.94 MERTK (0.48) KDM4EALDH1A1MERTKHPGDMEN1
SCHEMBL11714812 0.88 VCAM1 (0.54) KDM4EALDH1A1MERTKHPGDMEN1
SCHEMBL1336397 0.87 MAOB (0.56) MEN1KMT2AFFAR1MAPT
SCHEMBL1335728 0.87 MAOB (0.52) MEN1KMT2AFFAR1TLR4TLR2
SCHEMBL1031184 0.87 ALDH1A1 (0.50) ALDH1A1MERTKHPGDMEN1KMT2A
SCHEMBL8389877 0.87 VCAM1 (0.56) ALDH1A1MERTKHPGDMEN1KMT2A
SCHEMBL1335475 0.86 MAPT (0.49) KDM4EALDH1A1TDP1VCAM1CYP19A1
SCHEMBL1336597 0.85 MAOB (0.56) MEN1KMT2AFFAR1TLR4TLR2
Hydroquinone SCHEMBL11475895 0.85 EGFR (0.44) KDM4EALDH1A1MERTKHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115746000-A Compounds and methods for modulating bruton's tyrosine kinase 嘉兴和剂药业有限公司 2023-03-07 — — CN disclosed
CN-109071455-B Compounds and methods for modulating bruton's tyrosine kinase 嘉兴和剂药业有限公司 2022-08-02 — — CN disclosed
US-11306099-B1 Compounds and methods for modulating Bruton's Tyrosine Kinase Angel Pharmaceutical Co., Ltd. (CN) 2022-04-19 — — US disclosed
EP-3426637-B1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE ANGEL PHARMACEUTICAL CO LTD (CN) 2022-02-09 — — EP disclosed
EP-3426637-B1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE ANGEL PHARMACEUTICAL CO LTD (CN) 2022-02-09 — — EP disclosed
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase CORVUS PHARMACEUTICALS, INC. (US) 2020-12-22 — — US disclosed
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase CORVUS PHARMACEUTICALS, INC. (US) 2020-12-22 — — US disclosed
US-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE CORVUS BIOPHARMACEUTICALS, LTD. (KY) 2019-04-11 — — US disclosed
US-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE CORVUS BIOPHARMACEUTICALS, LTD. (KY) 2019-04-11 — — US disclosed
EP-3426637-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE Corvus Pharmaceuticals, Inc. (US) 2019-01-16 — — EP disclosed
US-8354399-B2 Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-15 — — US disclosed
US-20110281843-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-11-17 — — US disclosed
EP-2373626-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2011-10-12 — — EP disclosed
WO-2011025799-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2011-03-03 — — WO disclosed
WO-2011025799-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2011-03-03 — — WO disclosed
WO-2010069966-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-06-24 — — WO disclosed
US-4431439-A PLANT GROWTH INHIBITORS; SELELCTIVE FOR CEREAL CROPS CIBA-GEIGY CORPORATION (US) 1984-02-14 — — US disclosed
EP-0035475-B1 HERBICIDALLY ACTIVE 2-NITRO-5-PHENOXYPHENYL OXAZOLES, OXAZINES, IMIDAZOLES, PYRIMIDINES AND THIAZOLES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1983-11-30 — — EP disclosed
US-4350519-A SELECTIVE ACTION, PRE- AND POSTEMERGENCE CIBA-GEIGY CORPORATION (US) 1982-09-21 — — US disclosed
EP-0035475-A1 Herbicidally active 2-nitro-5-phenoxyphenyl oxazoles, oxazines, imidazoles, pyrimidines and thiazoles, their preparation and their use CIBA-GEIGY AG (CH) 1981-09-09 — — EP 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 (4 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-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE ABL1, BTK, LYN KDM4E 1241/4885ALDH1A1 4420/4885MERTK 150/4885
US-11306099-B1 Compounds and methods for modulating Bruton's Tyrosine Kinase ABL1, BTK, LYN KDM4E 1241/4885ALDH1A1 4420/4885MERTK 150/4885
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase ABL1, BTK, LYN KDM4E 1241/4885ALDH1A1 4420/4885MERTK 150/4885
US-20110281843-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, MAP3K3, MAP3K5 KDM4E 953/4885ALDH1A1 1805/4885MERTK 564/4885

“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.