SCHEMBL4125286

SCHEMBL4125286

Cc1cnccc1NC(=O)c1[nH]c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SERPINE1 P05121 1/20 0.45
IMPDH2 P12268 1/20 0.44
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42

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
SCHEMBL3942191 0.92 BRD4 (0.48) BRD4NAMPTALDH1A1POLBMEN1
SCHEMBL3953642 0.92 BRD4 (0.48) BRD4NAMPTALDH1A1POLBMEN1
SCHEMBL3947425 0.89 BRD4 (0.53) BRD4NAMPTALDH1A1POLBMEN1
SCHEMBL3943957 0.88 NAMPT (0.61) BRD4NAMPTALDH1A1POLBMEN1
SCHEMBL3944472 0.87 BRD4 (0.47) BRD4NAMPTALDH1A1POLBMEN1
SCHEMBL3951029 0.87 BRD4 (0.49) BRD4NAMPTALDH1A1POLBMEN1
SCHEMBL3945237 0.86 KMT2A (0.58) BRD4NAMPTALDH1A1POLBMEN1
SCHEMBL3952701 0.85 ALDH1A1 (0.55) BRD4ALDH1A1POLBMEN1CYP1A2
SCHEMBL3940902 0.85 BRD4 (0.49) BRD4NAMPTALDH1A1POLBMEN1
SCHEMBL3945664 0.85 BRD4 (0.52) BRD4ALDH1A1POLBMEN1CYP1A2

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 3928/4885NAMPT 734/4885ALDH1A1 268/4885

“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.