SCHEMBL3941833

SCHEMBL3941833

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)NCCN4CCOCC4)c(-c4cccnc4)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 3/20 0.49
DYRK1A Q13627 3/20 0.49
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NAMPT P43490 4/20 0.43
BRD4 O60885 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
MDM4 O15151 1/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40

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
SCHEMBL3942340 0.92 ALDH1A1 (0.45) WNT1DYRK1AALDH1A1CYP1A2CYP3A4
SCHEMBL3943840 0.92 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3952555 0.89 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3943632 0.89 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4136157 0.89 WNT1 (0.44) WNT1DYRK1AALDH1A1CYP1A2CYP3A4
SCHEMBL4112147 0.88 ALDH1A1 (0.46) WNT1DYRK1AALDH1A1CYP1A2CYP3A4
SCHEMBL14307300 0.88 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3951748 0.88 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3947208 0.88 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3944028 0.88 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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 WNT1 3809/4885DYRK1A 3897/4885ALDH1A1 268/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 WNT1 3809/4885DYRK1A 3897/4885ALDH1A1 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.