SCHEMBL3943389

SCHEMBL3943389

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NCc4ccccn4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 5/20 0.52
HTT P42858 1/20 0.52
BRD4 O60885 1/20 0.49
SERPINE1 P05121 1/20 0.47
MEN1 O00255 4/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 3/20 0.43

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
SCHEMBL3945240 0.92 HTT (0.51) ALDH1A1KMT2AHTTBRD4SERPINE1
SCHEMBL3943902 0.88 BRD4 (0.56) ALDH1A1KMT2ABRD4SERPINE1MEN1
SCHEMBL3951021 0.88 BRD4 (0.47) ALDH1A1KMT2AHTTBRD4SERPINE1
SCHEMBL3950835 0.88 BRD4 (0.52) ALDH1A1KMT2AHTTBRD4SERPINE1
SCHEMBL3945155 0.87 BRD4 (0.47) ALDH1A1KMT2AHTTBRD4SERPINE1
SCHEMBL3940651 0.86 BRD4 (0.52) ALDH1A1KMT2ABRD4SERPINE1MEN1
SCHEMBL3948492 0.86 TDP1 (0.54) ALDH1A1KMT2AHTTBRD4SERPINE1
SCHEMBL3952137 0.86 BRD4 (0.49) ALDH1A1KMT2AHTTBRD4SERPINE1
SCHEMBL3944661 0.85 BRD4 (0.53) ALDH1A1KMT2ABRD4SERPINE1MEN1
SCHEMBL3949722 0.85 BRD4 (0.54) ALDH1A1KMT2ABRD4SERPINE1MEN1

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 ALDH1A1 268/4885KMT2A 4518/4885HTT 4432/4885

“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.