SCHEMBL30547820

SCHEMBL30547820

CCc1cc2cccc(C#N)c2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.36
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ TSHR P16473 5/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ CASP7 P55210 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CLK1 P49759 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL22434750 0.78 TSHR (0.39) CA1CA2TSHRALOX15CASP1
SCHEMBL28264568 0.77 CA1 (0.40) CA1CA2TSHRALOX15CASP1
SCHEMBL22502897 0.76 ALKBH5 (0.38) ALDH1A1CYP1A2KMT2ABRD1BRPF1
SCHEMBL22502916 0.75 DHFR (0.31) POLB
SCHEMBL28779645 0.72 MCL1 (0.51) TSHRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL24496732 0.71 NOTUM (0.33) TSHRALOX15CASP1CASP7L3MBTL1
SCHEMBL24246102 0.71 NOTUM (0.30) —
SCHEMBL20504911 0.68 KDM4E (0.33) CA1CA2TSHRALOX15CASP1
SCHEMBL18030921 0.67 IMPDH2 (0.46) CA1CA2TSHRKDM4EALDH1A1
SCHEMBL17069069 0.67 XDH (0.39) CA1CA2TSHRL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 — — EP disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 — — EP 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-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 PPARG 3120/4885CA1 4679/4885CA2 4689/4885

“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.

Send feedback