SCHEMBL3593923

SCHEMBL3593923

Cn1c(C(=O)CC#N)cc2cc(Cl)ccc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.54
▸ PHGDH O43175 11/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ AHR P35869 1/20 0.47
▸ CCR2 P41597 1/20 0.44
▸ AGPAT2 O15120 1/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ KCNE1 P15382 1/20 0.42
▸ SCN5A Q14524 1/20 0.42
▸ QRFPR Q96P65 1/20 0.42

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
SCHEMBL19997267 0.82 RXFP1 (0.59) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL3587743 0.81 MCL1 (0.59) PHGDHMEN1KMT2A
SCHEMBL2643465 0.80 RXFP1 (0.60) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL17324809 0.77 RXFP1 (0.64) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL43328 0.77 KDM4E (0.66) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL3591526 0.77 L3MBTL1 (0.49) MEN1KMT2A
SCHEMBL10003854 0.76 PPARG (0.56) —
SCHEMBL13415456 0.76 RXFP1 (0.62) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL718533 0.76 RXFP1 (0.52) RXFP1PHGDHMEN1KMT2AAHR
SCHEMBL24198804 0.74 RXFP1 (0.59) RXFP1PHGDHMEN1KMT2AAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 — — US disclosed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 — — EP disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 — — WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 — — 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 (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-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA RXFP1 1090/4885PHGDH 1559/4885MEN1 4876/4885

“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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