SCHEMBL8998878

SCHEMBL8998878

CN1C(=O)Cc2cc(C#N)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.51
GABRA1 P14867 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
TRIM24 O15164 2/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 4/20 0.43
BMPR1B O00238 2/20 0.43
BMPR1A P36894 2/20 0.43
ACVRL1 P37023 2/20 0.43
ACVR1 Q04771 2/20 0.43
KDM1A O60341 2/20 0.41
SMYD3 Q9H7B4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL749506 0.87 CASP3 (0.47) CASP3GABRA1GABRG2GABRB3GABRA5
SCHEMBL12080177 0.85 CASP3 (0.53) CASP3GABRA1GABRG2GABRB3GABRA5
SCHEMBL27534662 0.81 CASP3 (0.41) CASP3GABRA1GABRG2GABRB3GABRA5
SCHEMBL26021802 0.80 BMPR1B (0.46) CASP3GABRA1GABRG2GABRB3GABRA5
SCHEMBL8998891 0.80 CASP3 (0.44) CASP3GABRA1GABRG2GABRB3GABRA5
SCHEMBL26021780 0.80 CASP3 (0.44) CASP3GABRA1GABRG2GABRB3GABRA5
SCHEMBL769097 0.78 ACVRL1 (0.63) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL11804090 0.77 CASP3 (0.49) CASP3GABRA1GABRG2GABRB3GABRA5
SCHEMBL26021793 0.77 BMPR1B (0.45) CASP3GABRA1GABRG2GABRB3GABRA5
SCHEMBL25899787 0.77 BMPR1B (0.48) CASP3GABRA1GABRG2GABRB3GABRA5

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-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE HERCULES CAPITAL, INC., AS AGENT 2023-08-24 US disclosed
US-5556874-A ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS WARNER LAMBERT COMPANY (US) 1996-09-17 US disclosed
US-5464861-A Anticarcinogenic agents WARNER-LAMBERT (US) 1995-11-07 US disclosed
EP-0654024-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-05-24 EP disclosed
WO-1994003427-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1994-02-17 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-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE APOL1, APOB, LDLR CASP3 2129/4885GABRA1 4681/4885GABRG2 4759/4885

“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.