SCHEMBL177815

SCHEMBL177815

O=[N+]([O-])c1ccc(Cc2cccnc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
MAPT P10636 4/20 0.60
RAB9A P51151 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
NAMPT P43490 1/20 0.56
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP19A1 P11511 1/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
TBXAS1 P24557 4/20 0.53
HTT P42858 2/20 0.52
GAA P10253 1/20 0.49

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
SCHEMBL10960125 0.84 TSHR (0.54) POLBMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL177812 0.80 POLB (1.00) POLBMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL267666 0.80 ALDH1A1 (0.70) POLBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL8087428 0.80 POLB (0.76) POLBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL8094050 0.80 POLB (0.76) POLBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL44366 0.80 POLB (0.76) POLBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL10920095 0.79 ALDH1A1 (0.48) POLBMAPTRAB9ANPSR1ALDH1A1
SCHEMBL20718019 0.78 SMN1; SMN2 (0.52) MAPTRAB9ANPSR1NAMPTALDH1A1
SCHEMBL4008207 0.78 MAPT (0.74) POLBMAPTRAB9ANPSR1NAMPT
SCHEMBL727185 0.78 CYP1A2 (0.62) CYP11B1CYP11B2TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404683-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2013-03-26 US disclosed
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 US disclosed
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 US disclosed
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032436-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032463-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
EP-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed
US-4495357-A THROMBOXANE A2 SYNTHETASE INHIBITORS THE UPJOHN COMPANY (US) 1985-01-22 US disclosed
US-4490531-A THROMBOXAN INHIBITOR, ANTITUMOR AGENT, HYPOTENSIVE AGENT THE UPJOHN COMPANY (US) 1984-12-25 US disclosed
EP-0069521-A2 Pyridinyl and imidazolyl derivatives of benzofurans and benzothiophenes THE UPJOHN COMPANY (US) 1983-01-12 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 (3 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 POLB 2292/4885MAPT 825/4885RAB9A 1797/4885
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 POLB 2038/4885MAPT 618/4885RAB9A 3273/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF POLB 2254/4885MAPT 3056/4885RAB9A 1346/4885

“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.