SCHEMBL4930508

SCHEMBL4930508

Nc1ccc2[nH]c(C(=O)Nc3cccnc3)c(-c3ccccc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
NAMPT P43490 3/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
IDO1 P14902 1/20 0.47
DYRK1A Q13627 3/20 0.47
CLK2 P49760 1/20 0.47
CLK3 P49761 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47

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 0.89 ALDH1A1 (0.57) GAAMAPTKDM4EALDH1A1LMNA
SCHEMBL4937564 0.88 ALDH1A1 (0.52) GAAMAPTKDM4EALDH1A1CA12
SCHEMBL4934801 0.84 KMT2A (0.66) GAAMAPTKDM4EALDH1A1NAMPT
SCHEMBL5187596 0.82 NPC1 (0.41) GAAMAPTKDM4EALDH1A1NAMPT
SCHEMBL4924331 0.81 ALDH1A1 (0.51) GAAMAPTKDM4EALDH1A1NPC1
SCHEMBL3943957 0.77 NAMPT (0.61) KDM4EALDH1A1NAMPTLMNANPC1
SCHEMBL6614826 0.76 ALDH1A1 (0.69) GAAMAPTKDM4EALDH1A1CA12
SCHEMBL8938303 0.74 MAP2 (0.54) GAAMAPTKDM4EALDH1A1DYRK1A
SCHEMBL4930105 0.74 ALDH1A1 (0.54) GAAMAPTKDM4EALDH1A1LMNA
SCHEMBL4926259 0.73 ALDH1A1 (0.56) GAAMAPTKDM4EALDH1A1CA12

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 GAA 791/4885MAPT 4671/4885KDM4E 4145/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 GAA 791/4885MAPT 4671/4885KDM4E 4145/4885

“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.