SCHEMBL3950835

SCHEMBL3950835

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NCc4ccncc4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
SERPINE1 P05121 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAMPT P43490 6/20 0.47
IMPDH2 P12268 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL3943902 0.94 BRD4 (0.56) BRD4SERPINE1ALDH1A1POLBNPSR1
SCHEMBL3948492 0.91 TDP1 (0.54) BRD4SERPINE1TDP1ALDH1A1LMNA
SCHEMBL3944661 0.91 BRD4 (0.53) BRD4SERPINE1TDP1ALDH1A1POLB
SCHEMBL3943055 0.90 BRD4 (0.52) BRD4SERPINE1ALDH1A1POLBNPSR1
SCHEMBL3941791 0.89 BRD4 (0.51) BRD4SERPINE1ALDH1A1POLBLMNA
SCHEMBL3947425 0.88 BRD4 (0.53) BRD4SERPINE1TDP1ALDH1A1POLB
SCHEMBL3943389 0.88 ALDH1A1 (0.52) BRD4SERPINE1ALDH1A1POLBNPSR1
SCHEMBL3951586 0.87 SERPINE1 (0.53) BRD4SERPINE1ALDH1A1POLBNPSR1
SCHEMBL3950703 0.87 SERPINE1 (0.53) BRD4SERPINE1ALDH1A1POLBNPSR1
SCHEMBL3953102 0.87 BRD4 (0.51) BRD4SERPINE1ALDH1A1POLBNPSR1

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-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP 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

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-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY2, ADCY5 BRD4 3928/4885SERPINE1 688/4885TDP1 857/4885

“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.