SCHEMBL8301883

SCHEMBL8301883

Cn1ccn(Cc2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CCNB2 O95067 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ CCNB3 Q8WWL7 1/20 0.46
▸ ELANE P08246 2/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ F2 P00734 1/20 0.45
▸ PLG P00747 1/20 0.45
▸ CTSG P08311 1/20 0.45
▸ CMA1 P23946 1/20 0.45
▸ CTRC Q99895 1/20 0.45
▸ NOTUM Q6P988 1/20 0.45

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
SCHEMBL27478800 0.86 F2 (0.54) SMN1; SMN2TP53KDM4EHTTCYP2D6
SCHEMBL22252623 0.81 TP53 (0.47) SMN1; SMN2TP53KDM4EHTTCYP2D6
SCHEMBL9118024 0.78 CYP3A4 (0.51) SMN1; SMN2TP53KDM4EHTTCYP2D6
SCHEMBL7466508 0.78 HPGD (0.55) SMN1; SMN2CCNB2CDK1CCNB1GSK3A
SCHEMBL9725988 0.77 LPO (0.62) SMN1; SMN2TP53KDM4EHTTCYP2D6
SCHEMBL10077158 0.77 KDM4E (0.47) SMN1; SMN2TP53KDM4EHTTCYP2D6
SCHEMBL15486314 0.77 ALDH1A1 (0.43) SMN1; SMN2TP53KDM4EHTTCYP2D6
SCHEMBL14600369 0.77 KMT2A (0.45) SMN1; SMN2TP53KDM4EHTTCYP2D6
SCHEMBL32676790 0.74 ALDH1A1 (0.41) SMN1; SMN2TP53KDM4EHTTCYP2D6
SCHEMBL24754375 0.74 ALDH1A1 (0.44) SMN1; SMN2TP53MAPTHPGDBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2013-03-14 — — US disclosed
CN-102482212-A Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO KG 2012-05-30 — — CN disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 — — US disclosed
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 — — WO 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-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY DDX18, FPR1, DCXR SMN1; SMN2 4500/4885TP53 4472/4885KDM4E 1235/4885

“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.

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