SCHEMBL3515097

SCHEMBL3515097

O=c1cc(Nc2ccccc2N2CCOCC2)c2cccnc2n1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SCN9A Q15858 4/20 0.46
POLB P06746 2/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
USP2 O75604 2/20 0.44
KMT2A Q03164 1/20 0.44
SCN5A Q14524 1/20 0.43
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
HPGD P15428 1/20 0.42
SLC40A1 Q9NP59 1/20 0.42
MAPT P10636 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
KDM4E B2RXH2 1/20 0.41
P2RX7 Q99572 1/20 0.41

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
SCHEMBL3533920 0.89 PIM1 (0.47) ALDH1A1KMT2AMAPT
SCHEMBL3518140 0.76 FEN1 (0.44) ALDH1A1POLBCYP3A4KMT2AHPGD
SCHEMBL3517441 0.75 PIK3CA (0.49) CYP3A4USP2KMT2AKDM4E
SCHEMBL3515039 0.75 FABP3 (0.43) ALDH1A1CYP2C19KDM4E
SCHEMBL3518012 0.74 SCN1A (0.44) POLBKMT2ASCN5A
SCHEMBL3516410 0.74 ACVR1 (0.40) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL3514710 0.74 P2RX7 (0.44) SMN1; SMN2ALDH1A1POLBCYP3A4CYP2C19
SCHEMBL3518929 0.73 FEN1 (0.47) SMN1; SMN2ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL18335243 0.73 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1SCN9APOLBCYP1A2
SCHEMBL3515736 0.73 ACP1 (0.47) SMN1; SMN2ALDH1A1POLBMAPTKDM4E

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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL SMN1; SMN2 1566/4885ALDH1A1 1486/4885SCN9A 1678/4885

“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.