SCHEMBL3517890

SCHEMBL3517890

O=C(Cc1ccccc1)Nc1cc(=O)n(O)c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
GALR3 O60755 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
GPR35 Q9HC97 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
CLK1 P49759 1/20 0.45
HDAC3 O15379 2/20 0.44
MCL1 Q07820 1/20 0.44
GAA P10253 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM6B O15054 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KCNQ2 O43526 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL3516223 0.81 BACE1 (0.49) HTTHPGDKDM4EMAPTHDAC3
SCHEMBL3516206 0.81 KDR (0.51) SMN1; SMN2RAB9AALDH1A1GPR35CLK1
SCHEMBL3519112 0.80 MEN1 (0.54) ALDH1A1HPGDGPR35CLK1KMT2A
SCHEMBL3514363 0.80 RAB9A (0.47) SMN1; SMN2HTTRAB9AALDH1A1KDM4E
SCHEMBL3518140 0.77 FEN1 (0.44) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL18136095 0.75 FEN1 (0.47) ALDH1A1HPGDKDM4EKMT2AKDM6B
SCHEMBL3538616 0.74 KMT2A (0.46) HTTALDH1A1KDM4EMAPTHDAC3
SCHEMBL3516411 0.73 ALK (0.41)
SCHEMBL3517421 0.73 ADRA2C (0.43) SMN1; SMN2HTTHDAC3KMT2AMEN1
SCHEMBL3515039 0.73 FABP3 (0.43) HTTALDH1A1KDM4EKDM6BKDM4C

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 1566/4885GALR3 4406/4885HTT 1148/4885

“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.