SCHEMBL5154936

SCHEMBL5154936

CN(c1ccc2[nH]c(C(=O)Nc3ccncc3)c(-c3ccccc3)c2c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALOX12 P18054 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA12 O43570 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
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
NAMPT P43490 1/20 0.41
MAPK1 P28482 4/20 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
SCHEMBL4792122 0.86 NAMPT (0.40) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL5151357 0.85 KDM4E (0.51) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL3947425 0.84 BRD4 (0.53) HTTMEN1KMT2ACA1CA2
SCHEMBL5154958 0.84 ALDH1A1 (0.49) HTTMEN1KMT2ACA1CA2
SCHEMBL5152051 0.82 CA1 (0.46) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL5156283 0.82 CA1 (0.46) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL5149450 0.80 CA1 (0.42) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL3942870 0.80 BRD4 (0.52) MAPTMEN1KMT2ACA1CA2
SCHEMBL5151594 0.80 ALDH1A1 (0.56) HTTMAPTMEN1KMT2AKDM4E
SCHEMBL3945426 0.78 FLT1 (0.45) MAPTKDM4EALDH1A1PRSS12GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225284-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-27 US claimed
US-20070225284-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-27 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-20070225284-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCYAP1R1 HTT 4437/4885MAPT 4644/4885MEN1 717/4885

“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.