SCHEMBL3514710

SCHEMBL3514710

O=c1cc(NCC(c2ccccc2)N2CCOCC2)c2cccnc2n1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3518012 0.80 SCN1A (0.44) POLBMAPK1
SCHEMBL3515736 0.74 ACP1 (0.47) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL3515097 0.74 SMN1; SMN2 (0.48) P2RX7CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL3516223 0.73 BACE1 (0.49) MAPTKDM4EHSD17B10
SCHEMBL3516034 0.73 AURKA (0.43) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL3517441 0.72 PIK3CA (0.49) CYP3A4KDM4E
SCHEMBL3514363 0.71 RAB9A (0.47) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL3516717 0.71 KDM4E (0.43) CYP3A4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3514723 0.71 KDM4E (0.43) CYP3A4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3514910 0.71 KDM4E (0.43) CYP3A4ALDH1A1SMN1; SMN2KDM4E

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 P2RX7 3719/4885CYP3A4 857/4885CYP2C9 1218/4885

“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.