SCHEMBL17016671

SCHEMBL17016671

Cc1cc(-c2ccc(F)cc2)n[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
RET P07949 1/20 0.59
KDR P35968 1/20 0.59
ALPL P05186 2/20 0.53
CA12 O43570 1/20 0.53
RPA1 P27694 1/20 0.53
MEN1 O00255 4/20 0.49
NPC1 O15118 4/20 0.49
KMT2A Q03164 4/20 0.49
RAB9A P51151 3/20 0.49
ALOX15 P16050 2/20 0.49
CRHBP P24387 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
CRHR2 Q13324 1/20 0.46
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
USP2 O75604 1/20 0.43
RAD51 Q06609 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
SCHEMBL11402759 0.98 MAPT (0.58) MAPTRETKDRALPLCA12
SCHEMBL11398355 0.91 MAPT (0.52) MAPTRETKDRALPLCA12
SCHEMBL1753098 0.83 ALPL (0.53) MAPTRETKDRALPLCA12
SCHEMBL22130300 0.83 ALPL (0.53) MAPTRETKDRALPLMEN1
SCHEMBL1752841 0.83 ALPL (0.54) MAPTRETKDRALPLCA12
SCHEMBL11396912 0.83 L3MBTL1 (0.58) MAPTRETALPLRAB9AATM
SCHEMBL1754740 0.82 L3MBTL1 (0.61) MAPTRETMEN1KMT2ARAB9A
SCHEMBL11402365 0.81 NPC1 (0.62) MAPTRETKDRALPLMEN1
SCHEMBL11402579 0.81 ALPL (0.51) MAPTRETKDRALPLCA12
SCHEMBL22728780 0.80 TDP1 (0.61) MAPTRETKDRALPLMEN1

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 MAPT 4512/4885RET 1837/4885KDR 2290/4885
US-20150232454-A1 THERAPEUTIC HYDROXYPYRIDINONES, HYDROXYPYRIMIDINONES AND HYDROXYPYRIDAZINONES XDH, DPYD, DHX15 MAPT 4536/4885RET 1410/4885KDR 2006/4885

“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.