Sugi Predict

Sugi Predict / Compounds / SCHEMBL2087809

SCHEMBL2087809

SCHEMBL2087809

COc1cc(OC)c([N+](=O)[O-])cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.63
▸ MAPT P10636 2/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ PRKDC P78527 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ TDP1 Q9NUW8 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ LMNA P02545 3/20 0.49
▸ HTT P42858 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47

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
SCHEMBL10778338 0.95 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL6370055 0.93 ALDH1A1 (0.57) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL11135612 0.91 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL210330 0.91 ALDH1A1 (0.68) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL29800558 0.91 ALDH1A1 (0.68) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL28620392 0.90 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL6370714 0.85 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL2955974 0.85 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL2678870 0.85 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL67611 0.85 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ECYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107805204-A A kind of method for synthesizing 2,4,5 trimethoxy-anilines 武汉武药制药有限公司 2018-03-16 — — CN claimed
WO-2020055192-A2 PREPARATION METHOD FOR QUINOLINE-5, 8-DIONE DERIVATIVE WHICH IS TGASE 2 INHIBITOR 재단법인 대구경북첨단의료산업진흥재단 2020-03-19 — — WO disclosed
WO-2020055192-A2 PREPARATION METHOD FOR QUINOLINE-5, 8-DIONE DERIVATIVE WHICH IS TGASE 2 INHIBITOR 재단법인 대구경북첨단의료산업진흥재단 2020-03-19 — — WO disclosed
CN-107805204-A A kind of method for synthesizing 2,4,5 trimethoxy-anilines 武汉武药制药有限公司 2018-03-16 — — CN disclosed
US-8263590-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2012-09-11 — — US disclosed
CN-101490622-B Antireflective coating compositions AZ ELECTRONIC MATERIALS USA 2012-09-05 — — CN disclosed
US-20110201606-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-08-18 — — US disclosed
US-7964592-B2 2,4-di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2011-06-21 — — US disclosed
US-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-04-28 — — US disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 — — US disclosed
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-28 — — US disclosed
WO-2004046120-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-06-03 — — WO disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 — — US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 — — WO disclosed
US-4714700-A TRANQUILIZERS, ANXIOLYTIC AGENTS CHOAY S.A. (FR) 1987-12-22 — — US disclosed
US-4618459-A INTERMEDIATES FOR BENZENESULFONAMIDE DERIVATIVES; ANTIDEPRESSANTS CHOAY S.A. (FR) 1986-10-21 — — US disclosed
US-4457875-A ANTIDEPRESSANTS, TRANQUILIZERS CHOAY S.A. (FR) 1984-07-03 — — US disclosed
EP-0001650-B1 ACYLACETANILIDE COMPOUNDS AND THEIR USE AS YELLOW FORMING COLOUR COUPLERS FOR SILVER HALIDE PHOTOGRAPHY AGFA-GEVAERT N.V. (BE) 1982-07-28 — — EP disclosed
US-4201584-A Silver halide elements containing yellow forming color couplers for silver halide photography AGFA-GEVAERT N.V. (BE) 1980-05-06 — — US disclosed
EP-0001650-A1 Acylacetanilide compounds and their use as yellow forming colour couplers for silver halide photography AGFA-GEVAERT N.V. (BE) 1979-05-02 — — 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-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 ALDH1A1 2007/4885MAPT 1550/4885KDM4E 2914/4885
US-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS TYMS, TYMP, DPYD ALDH1A1 587/4885MAPT 2197/4885KDM4E 2575/4885
US-20110201606-A1 PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS ALDH1A1 955/4885MAPT 2574/4885KDM4E 2833/4885
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K5 ALDH1A1 3235/4885MAPT 937/4885KDM4E 1531/4885

“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.