SCHEMBL3519638

SCHEMBL3519638

COc1ccc(NC(=O)c2c(O)c3cccnc3n(O)c2=O)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.47
MEN1 O00255 7/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 6/20 0.46
PABPC1 P11940 1/20 0.46
NAMPT P43490 1/20 0.45
KDM4E B2RXH2 2/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
BUB1 O43683 1/20 0.43
NPC1 O15118 4/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL3514745 0.87 HTR2C (0.50) KMT2AMEN1RAB9ANPC1CASP3
SCHEMBL3518921 0.86 MAPT (0.50) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL9046046 0.86 KMT2A (0.46) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL3514858 0.84 GRM4 (0.53) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL3517379 0.83 RAB9A (0.57) KMT2AMEN1LMNARAB9ANAMPT
SCHEMBL3516933 0.82 HPGD (0.56) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL3517646 0.81 EGFR (0.57) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL3517675 0.78 CNR2 (0.47) MAPTLMNARAB9AKDM4ESMN1; SMN2
SCHEMBL9207099 0.74 KMT2A (0.66) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL3518030 0.73 FEN1 (0.49) KMT2AMEN1MAPTLMNARAB9A

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 KMT2A 2764/4885MEN1 3126/4885MAPT 3237/4885

“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.