SCHEMBL17016709

SCHEMBL17016709

Cc1cc(-c2ccc(F)cc2)c(Br)nc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.39
GCGR P47871 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
ALOX5 P09917 4/20 0.36
GRM2 Q14416 1/20 0.36
RPS6KA3 P51812 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAP4K4 O95819 1/20 0.35
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL17016663 0.80 RAB9A (0.40) MAPK14GCGRRAB9ANPC1GRM2
SCHEMBL17016706 0.77 MAPK14 (0.44) MAPK14RAB9ANPC1TRPM8ALOX5
SCHEMBL21938179 0.71 ACHE (0.46) MAPK14GCGRRAB9ANPC1MEN1
SCHEMBL21363228 0.71 ALOX15 (0.48) MAPK14GCGRRAB9ANPC1ALOX5
SCHEMBL19067821 0.71 ALOX15 (0.54) MAPK14GCGRRAB9ANPC1ALOX5
SCHEMBL15577500 0.68 SQOR (0.48) MAPT
SCHEMBL31353610 0.67 GRM2 (0.45) MAPK14GCGRRAB9ANPC1GRM2
SCHEMBL17016707 0.67 MAP4K4 (0.44) ALOX5MAP4K4
SCHEMBL31353619 0.66 GRM2 (0.41) MAPK14GCGRRAB9ANPC1GRM2
SCHEMBL1773298 0.66 PDE3B (0.42) MAPK14GCGRKDM4EMAPTPTGS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932323-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-03 US disclosed
US-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-20 US disclosed
US-9573938-B2 Therapeutic hydroxypyridinones, hydroxypyrimidinones and hydroxypyridazinones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-02-21 US disclosed
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-20 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 (2 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-20170204083-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, P4HA1 MAPK14 3982/4885GCGR 1490/4885RAB9A 3526/4885
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, DHX15 MAPK14 4176/4885GCGR 1381/4885RAB9A 3245/4885

“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.