SCHEMBL3945237

SCHEMBL3945237

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)Nc4ccccc4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
POLB P06746 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
BRD4 O60885 1/20 0.57
SERPINE1 P05121 1/20 0.54
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49

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
SCHEMBL3952701 0.95 ALDH1A1 (0.55) KMT2AALDH1A1MEN1CYP1A2POLB
SCHEMBL3951985 0.95 BRD4 (0.55) KMT2AALDH1A1MEN1CYP1A2POLB
SCHEMBL3946166 0.95 BRD4 (0.54) KMT2AALDH1A1MEN1CYP1A2POLB
SCHEMBL3945335 0.95 BRD4 (0.54) KMT2AALDH1A1MEN1CYP1A2POLB
SCHEMBL3947590 0.95 BRD4 (0.54) KMT2AALDH1A1MEN1CYP1A2POLB
SCHEMBL3947425 0.94 BRD4 (0.53) KMT2AALDH1A1MEN1CYP1A2POLB
SCHEMBL3943381 0.93 BRD4 (0.52) KMT2AALDH1A1MEN1CYP1A2POLB
SCHEMBL3953084 0.93 BRD4 (0.52) KMT2AALDH1A1MEN1CYP1A2POLB
SCHEMBL3942870 0.93 BRD4 (0.52) KMT2AALDH1A1MEN1CYP1A2POLB
SCHEMBL3946730 0.92 BRD4 (0.52) KMT2AALDH1A1MEN1CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP claimed
US-20060074084-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 US claimed
US-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 US disclosed
US-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 US disclosed
US-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 US disclosed
US-20060074084-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 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 (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-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY2, ADCY5 KMT2A 4518/4885ALDH1A1 268/4885MEN1 712/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 KMT2A 4518/4885ALDH1A1 268/4885MEN1 712/4885

“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.