SCHEMBL5352456

SCHEMBL5352456

CCCCNC(=O)Nc1nc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ RIPK1 Q13546 2/20 0.58
▸ SCD O00767 1/20 0.57
▸ KMT2A Q03164 2/20 0.55
▸ LCK P06239 1/20 0.53
▸ DYRK1A Q13627 1/20 0.53
▸ MAPT P10636 3/20 0.52
▸ MAOA P21397 1/20 0.52
▸ PTPN1 P18031 1/20 0.51
▸ TSHR P16473 1/20 0.50
▸ NOD2 Q9HC29 1/20 0.50
▸ ABL1 P00519 1/20 0.49
▸ CXCR2 P25025 1/20 0.49
▸ MGLL Q99685 1/20 0.49
▸ HPGD P15428 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KDM4E B2RXH2 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
SCHEMBL5346634 0.86 NPC1 (0.66) NPC1RAB9ASMN1; SMN2SCDKMT2A
SCHEMBL14375443 0.82 SCD (0.69) NPC1RAB9ASMN1; SMN2SCDKMT2A
SCHEMBL5348758 0.82 SCD (0.65) NPC1RAB9ASMN1; SMN2SCDKMT2A
SCHEMBL6068032 0.78 KMT2A (0.74) NPC1RAB9ASMN1; SMN2RIPK1KMT2A
SCHEMBL11829587 0.78 KMT2A (0.68) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL2759558 0.76 RAB9A (0.71) NPC1RAB9ASMN1; SMN2SCDKMT2A
SCHEMBL5343560 0.76 RAF1 (0.66) NPC1RAB9ASMN1; SMN2RIPK1KMT2A
SCHEMBL6068271 0.76 ABL1 (0.65) NPC1RAB9ASMN1; SMN2SCDKMT2A
SCHEMBL4785959 0.75 KMT2A (0.67) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL5341988 0.75 KDR (0.76) NPC1RAB9ASMN1; SMN2RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 — — US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 — — US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 — — US disclosed
WO-2007092879-A2 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 — — WO disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 — — US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 — — US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 — — US disclosed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 — — US disclosed
EP-1341771-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-09-10 — — EP disclosed
WO-2002044156-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-06-06 — — WO 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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 NPC1 4097/4885RAB9A 4080/4885SMN1; SMN2 4300/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 NPC1 4097/4885RAB9A 4080/4885SMN1; SMN2 4300/4885

“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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