SCHEMBL5491238

SCHEMBL5491238

NC(=O)Nc1ccc2cc(-c3ccccc3)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PRMT5 O14744 1/20 0.48
PRMT3 O60678 1/20 0.48
CARM1 Q86X55 1/20 0.48
EHMT2 Q96KQ7 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
PRMT1 Q99873 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
PRMT8 Q9NR22 1/20 0.48
PRMT7 Q9NVM4 1/20 0.48
NAMPT P43490 1/20 0.47
PDE10A Q9Y233 1/20 0.46
F2 P00734 1/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45

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
Hydrochloric Acid SCHEMBL28572813 0.86 PRMT5 (0.49) CASP3SENP8SENP7SENP6PRMT5
SCHEMBL30546488 0.86 CASP3 (0.58) CASP3SENP8SENP7SENP6NPC1
SCHEMBL2246941 0.82 CASP3 (0.55) CASP3SENP8SENP7SENP6NPC1
SCHEMBL22803978 0.78 MTOR (0.53) CASP3SENP8SENP7SENP6NPC1
SCHEMBL30344399 0.78 CASP3 (0.77) CASP3SENP8SENP7SENP6NPC1
SCHEMBL5443742 0.78 CASP3 (0.77) CASP3SENP8SENP7SENP6NPC1
Hydrochloric Acid SCHEMBL28847796 0.77 PRMT5 (0.67) CASP3SENP8SENP7SENP6PRMT5
SCHEMBL15060321 0.74 NAMPT (0.59) NPC1RAB9ANAMPTPDE10AMAPT
SCHEMBL3704691 0.74 CASP3 (1.00) CASP3SENP8SENP7SENP6NPC1
SCHEMBL4408484 0.74 PRMT5 (0.57) CASP3SENP8SENP7SENP6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183252-B2 Indole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-02-27 US disclosed
US-6858577-B1 Indole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-02-22 US disclosed
US-20030224999-A1 Novel indole peptidomimetics as thrombin receptor antagonists ZHANG HAN-CHENG (US) 2003-12-04 US disclosed
US-20020103138-A1 Method for reducing or preventing the establishment, growth or metastasis of cancer by administering indole peptidomimetics PAR-1 antagonist and optionally PAR-2 antagonists ORTHO-MCNEIL PHARMACEUTICAL CORPORATION 2002-08-01 US disclosed
WO-2001000657-A2 NOVEL INDOLE PEPTIDOMIMETICS AS THROMBIN RECEPTOR ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-01-04 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-20020103138-A1 Method for reducing or preventing the establishment, growth or metastasis of cancer by administering indole peptidomimetics PAR-1 antagonist and optionally PAR-2 antagonists F2RL1, F2R, IDO2 CASP3 938/4885SENP8 2004/4885SENP7 1544/4885
US-20030224999-A1 Novel indole peptidomimetics as thrombin receptor antagonists PTAFR, F2R, F2RL1 CASP3 1321/4885SENP8 2282/4885SENP7 1917/4885

“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.