SCHEMBL2048930

SCHEMBL2048930

Cc1nccn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
NOS1 P29475 1/20 0.52
HTT P42858 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.48
CYP2E1 P05181 1/20 0.47
CYP2A6 P11509 1/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL30558759 0.82 ALDH1A1 (0.71) ALDH1A1CYP3A4CYP1A2CYP2D6CYP19A1
SCHEMBL2627222 0.81 FGFR1 (0.53) ALDH1A1KDM4ECYP3A4POLBCYP2E1
SCHEMBL9402020 0.80 KMT2A (0.45) ALDH1A1NOS1HTTCYP1A2CYP19A1
SCHEMBL17743745 0.80 MEN1 (0.45) ALDH1A1NOS1HTTCYP1A2CYP19A1
SCHEMBL5390679 0.80 MAPT (0.47) ALDH1A1NOS1HTTCYP1A2MAPT
SCHEMBL7557950 0.80 MEN1 (0.45) ALDH1A1NOS1HTTCYP1A2CYP19A1
SCHEMBL9615636 0.80 KMT2A (0.48) ALDH1A1NOS1HTTCYP1A2POLB
SCHEMBL14909623 0.80 MAPT (0.51) ALDH1A1NOS1KDM4ECYP1A2CYP2C9
SCHEMBL17743800 0.78 SMN1; SMN2 (0.55) ALDH1A1HTTKDM4ECYP3A4CYP1A2
SCHEMBL4324562 0.78 MAPK9 (0.52) NOS1HTTCYP1A2CYP19A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579320-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
US-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-10-22 US disclosed
US-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-10-22 US disclosed
EP-2323993-B1 2,6-DIAMINO- PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS PORTOLA PHARM INC (US) 2015-06-03 EP disclosed
US-8952027-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8952027-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8859611-B2 Thiophene inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
EP-2512247-B1 NOVEL THIOPHENE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS INC (US) 2014-06-04 EP disclosed
US-20140057957-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, INC. (US) 2014-02-27 US disclosed
US-8586624-B2 Thiophene inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2013-11-19 US disclosed
US-5231182-A Platelet activating factor inhibitor AMERICAN CYANAMID COMPANY (US) 1993-07-27 US disclosed
US-5225425-A Respiratory system disorders AMERICAN CYANAMID COMPANY (US) 1993-07-06 US disclosed
EP-0497512-A2 Imidazole, triazole and tetrazole derivatives MERCK SHARP & DOHME LTD. (GB) 1992-08-05 EP disclosed
US-5128351-A BIS-ARYL AMIDE AND UREA ANTAGONISTS OF PLATELET ACTIVATING FACTOR AMERICAN CYANAMID COMPANY (US) 1992-07-07 US disclosed
US-5077409-A Reducing hydroxy bis-aryl amide, acylating, hydrolyzing, sulfonating, halogenating, alkylating with nitrogen heterocycle AMERICAN CYANAMID COMPANY (US) 1991-12-31 US disclosed
EP-0458037-A1 Bis-aryl amide and urea antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1991-11-27 EP disclosed
US-4602031-A Anti-depressant imidazoles, compositions and use EISAI CO., LTD. (JP) 1986-07-22 US disclosed
US-4533669-A NONTOXIC EISAI CO., LTD. (JP) 1985-08-06 US disclosed
US-4402966-A Acylaminophenyl imidazoles and anti-depressing agent containing the same EISAI CO., LTD. (JP) 1983-09-06 US disclosed
US-4301169-A Novel imidazole compound and anti-depressing agent containing the same EISAI CO., LTD. (JP) 1981-11-17 US 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 (2 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-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 3700/4885NOS1 628/4885HTT 1377/4885
US-20140057957-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR ALDH1A1 346/4885NOS1 77/4885HTT 1650/4885

“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.