SCHEMBL6007642

SCHEMBL6007642

CC(=O)c1cccc2[nH]c3ccccc3c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.55
IMPDH1 P20839 1/20 0.55
PARP1 P09874 2/20 0.53
PBRM1 Q86U86 2/20 0.51
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
ALDH1A1 P00352 2/20 0.45
GPR3 P46089 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44

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
SCHEMBL6007661 0.87 PBRM1 (0.46) IMPDH2IMPDH1PARP1PBRM1KDM4E
SCHEMBL27872217 0.85 IMPDH2 (0.58) IMPDH2IMPDH1PARP1PBRM1CDK4
SCHEMBL30749415 0.84 PARP1 (0.73) IMPDH2IMPDH1PARP1PBRM1KDM4E
SCHEMBL2183473 0.84 PARP1 (0.73) IMPDH2IMPDH1PARP1PBRM1KDM4E
SCHEMBL30455376 0.84 PARP1 (0.73) IMPDH2IMPDH1PARP1PBRM1KDM4E
SCHEMBL30006934 0.82 IMPDH2 (0.55) IMPDH2IMPDH1PARP1PBRM1KDM4E
SCHEMBL6129592 0.82 IMPDH2 (0.55) IMPDH2IMPDH1PARP1PBRM1KDM4E
SCHEMBL28318301 0.82 IMPDH2 (0.55) IMPDH2IMPDH1PARP1PBRM1CDK4
SCHEMBL2181558 0.81 NR4A2 (0.55) IMPDH2IMPDH1PARP1KDM4EABCG2
SCHEMBL31670359 0.81 NR4A2 (0.55) IMPDH2IMPDH1PARP1KDM4EABCG2

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
US-8309721-B2 HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof SANOFI (FR) 2012-11-13 US disclosed
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 US disclosed
US-20060183022-A1 Electrochemical cell NEC TOKIN CORORATION (JP) 2006-08-17 US 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-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 IMPDH2 3926/4885IMPDH1 4250/4885PARP1 4296/4885

“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.