SCHEMBL4937564

SCHEMBL4937564

Nc1ccc2[nH]c(C(=O)Nc3ccncc3)c(-c3ccccc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
PRSS12 P56730 1/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 3/20 0.47
PRKCI P41743 1/20 0.46
MAP2 P11137 4/20 0.46

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
SCHEMBL4929236 0.92 ALDH1A1 (0.57) ALDH1A1KDM4EGAAMAPTPRSS12
SCHEMBL4930508 0.88 GAA (0.49) ALDH1A1KDM4EGAAMAPTPRSS12
SCHEMBL4924331 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EGAAMAPTPRSS12
SCHEMBL4942439 0.83 KMT2A (0.70) ALDH1A1KDM4EGAAMAPTPRSS12
SCHEMBL6614826 0.79 ALDH1A1 (0.69) ALDH1A1KDM4EGAAMAPTCA1
SCHEMBL4930105 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EGAAMAPTCA1
SCHEMBL3945426 0.76 FLT1 (0.45) ALDH1A1KDM4EGAAMAPTPRSS12
SCHEMBL4926259 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EGAAMAPTCA1
SCHEMBL6760822 0.76 ALDH1A1 (0.58) ALDH1A1KDM4EGAAMAPTCA1
SCHEMBL5154958 0.75 ALDH1A1 (0.49) ALDH1A1PRSS12CA1CA2CA12

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-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 ALDH1A1 268/4885KDM4E 4145/4885GAA 791/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 ALDH1A1 268/4885KDM4E 4145/4885GAA 791/4885

“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.