SCHEMBL10587131

SCHEMBL10587131

O=[N+]([O-])c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccc([N+](=O)[O-])cc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.55
▸ CYCS P99999 3/20 0.54
▸ CYP19A1 P11511 1/20 0.52
▸ ENPP2 Q13822 1/20 0.52
▸ MMP2 P08253 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ NPBWR1 P48145 2/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ FASN P49327 1/20 0.46
▸ TNKS O95271 1/20 0.46
▸ GUSB P08236 1/20 0.46
▸ NLRP3 Q96P20 1/20 0.46
▸ TNKS2 Q9H2K2 1/20 0.46
▸ PARP2 Q9UGN5 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
SCHEMBL31154457 1.00 TOP1 (0.55) TOP1CYCSCYP19A1ENPP2MMP2
SCHEMBL15134783 1.00 TOP1 (0.55) TOP1CYCSCYP19A1ENPP2MMP2
SCHEMBL30556440 1.00 TOP1 (0.55) TOP1CYCSCYP19A1ENPP2MMP2
SCHEMBL15134782 1.00 TOP1 (0.55) TOP1CYCSCYP19A1ENPP2MMP2
SCHEMBL8355904 1.00 TOP1 (0.55) TOP1CYCSCYP19A1ENPP2MMP2
SCHEMBL11327076 0.94 ENPP2 (0.57) TOP1CYCSCYP19A1ENPP2MMP2
SCHEMBL29405657 0.94 ENPP2 (0.57) TOP1CYCSCYP19A1ENPP2MMP2
SCHEMBL28565650 0.94 TOP1 (0.56) TOP1CYCSCYP19A1ENPP2MMP2
SCHEMBL28566539 0.94 TOP1 (0.52) TOP1CYCSCYP19A1ENPP2MMP2
SCHEMBL13249184 0.93 CYCS (0.56) TOP1CYCSCYP19A1ENPP2MMP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1242584-A — — None — — JP disclosed
US-8901292-B2 Method of mass production of tetrakis(p-nitrophenyl)porphyrins THE HONG KONG POLYTECHNIC UNIVERISTY (HK) 2014-12-02 — — US disclosed
CN-103664966-A Method for preparing asymmetric 5,15-bis(p-nitrophenyl)-10, 20-diphenyl porphyrin compound UNIV BEIJING TECHNOLOGY 2014-03-26 — — CN disclosed
CN-103664966-A Method for preparing asymmetric 5,15-bis(p-nitrophenyl)-10, 20-diphenyl porphyrin compound UNIV BEIJING TECHNOLOGY 2014-03-26 — — CN disclosed
US-20130190486-A1 Method Of Mass Production Of Tetrakis(P-Nitrophenyl)Porphyrins THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2013-07-25 — — US disclosed
JP-H01242584-A AROMATIC DIAMINE IMAI YOSHIO 1989-09-27 — — JP 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 (1 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-20130190486-A1 Method Of Mass Production Of Tetrakis(P-Nitrophenyl)Porphyrins NPEPPS, PPOX, PNN TOP1 2556/4885CYCS 521/4885CYP19A1 2406/4885

“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.

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