SCHEMBL4996791

SCHEMBL4996791

Nc1ccn(-c2nc3ccccc3n2CC(=O)c2ccc(Cl)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.57
NOD1 Q9Y239 1/20 0.55
CTSD P07339 1/20 0.53
GUSB P08236 1/20 0.53
NPSR1 Q6W5P4 2/20 0.53
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.53
NPC1 O15118 1/20 0.50
MGAM O43451 1/20 0.50
AMY1A P0DUB6 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
RAB9A P51151 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 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
SCHEMBL1818686 0.86 MAPT (0.59) CTSDNPSR1TSHRMGAMAMY1A
SCHEMBL5000979 0.86 SMN1; SMN2 (0.45) CXCR3CTSDGUSBNPSR1TSHR
SCHEMBL5000985 0.84 SMN1; SMN2 (0.53) CXCR3CTSDNPSR1TSHRNPC1
SCHEMBL1802857 0.78 CXCR3 (0.57) CXCR3NOD1CTSDGUSBNPSR1
SCHEMBL1385523 0.71 KDM4E (0.71) CTSDGUSBTSHRALDH1A1LMNA
SCHEMBL6709339 0.69 MAPT (0.61) CXCR3CTSDGUSBNPC1MGAM
SCHEMBL14470429 0.69 F2R (0.61) CXCR3NOD1CTSDGUSBNPSR1
SCHEMBL1801571 0.67 CTSD (0.45) CXCR3NOD1CTSDGUSBNPSR1
SCHEMBL5037413 0.66 KDM4E (0.62) TSHRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL1803118 0.65 MAPT (0.59) CTSDNPSR1TSHRMGAMAMY1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287681-A1 Substituted Benzimidazoles and their Use for Inducing Apoptosis EBERLE MARTIN 2008-11-20 US claimed

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-20080287681-A1 Substituted Benzimidazoles and their Use for Inducing Apoptosis BAX, BCL2, BAD CXCR3 1753/4885NOD1 307/4885CTSD 2577/4885

“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.