SCHEMBL3515862

SCHEMBL3515862

Cc1c(C(=O)O)c[n+]([O-])c(C)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.37
NOTUM Q6P988 1/20 0.36
TSHR P16473 1/20 0.36
AKR1C3 P42330 1/20 0.34
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MYC P01106 1/20 0.33
CYP1A2 P05177 1/20 0.33
CSNK2A1 P68400 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
PDE10A Q9Y233 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 2/20 0.32

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
SCHEMBL3515866 1.00 HCAR2 (0.37) HCAR2NOTUMTSHRAKR1C3KMT2A
SCHEMBL977541 0.76 HCAR2 (0.39) HCAR2NOTUMTSHRKMT2AKDM4E
SCHEMBL977540 0.76 HCAR2 (0.39) HCAR2NOTUMTSHRKMT2AKDM4E
SCHEMBL8847241 0.75 HSD17B10 (0.39) HCAR2NOTUMKMT2AKDM4EALDH1A1
SCHEMBL18000415 0.71 TSHR (0.41) HCAR2NOTUMTSHRKMT2AKDM4E
SCHEMBL6334298 0.70 CYP1A2 (0.48) NOTUMTSHRAKR1C3KMT2AKDM4E
SCHEMBL8847351 0.69 HCAR2 (0.32) HCAR2NOTUMTSHRAKR1C3KMT2A
SCHEMBL2085322 0.68 CCR5 (0.44) HCAR2NOTUMKMT2AALDH1A1TDP1
SCHEMBL8847168 0.68 HMGB1 (0.34) HCAR2NOTUMKDM4EALDH1A1HPGD
SCHEMBL14989153 0.68 KDM4E (0.50) NOTUMKMT2AKDM4EALDH1A1HPGD

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 HCAR2 3472/4885NOTUM 3240/4885TSHR 3624/4885

“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.