SCHEMBL3433129

SCHEMBL3433129

CC(C)(C)c1nc2ccc(-c3cccc(C(F)(F)F)c3)cc2n(CCO)c1=O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.47
GRIN1 Q05586 10/20 0.44
GRIN2B Q13224 10/20 0.44
TGFBR1 P36897 1/20 0.42
BRD9 Q9H8M2 1/20 0.41

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
SCHEMBL3473446 0.92 TGFBR1 (0.44) SCDGRIN1GRIN2BTGFBR1BRD9
SCHEMBL3350638 0.89 PIN1 (0.45) SCDGRIN1GRIN2B
SCHEMBL3376765 0.85 TRPC5 (0.46) GRIN1GRIN2B
SCHEMBL3476237 0.81 PIN1 (0.43) SCDGRIN1GRIN2BTGFBR1
SCHEMBL3473761 0.80 S1PR1 (0.41) SCD
SCHEMBL3473451 0.79 KMO (0.43) SCDGRIN1GRIN2B
SCHEMBL3474070 0.78 TGFBR1 (0.49) GRIN1GRIN2BTGFBR1BRD9
SCHEMBL3476567 0.78 GRIN1 (0.41) SCDGRIN1GRIN2BTGFBR1
SCHEMBL3475918 0.77 GRIN2B (0.41) GRIN1GRIN2B
SCHEMBL3435475 0.77 GRIN2B (0.41) GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO claimed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 SCD 2432/4885GRIN1 1435/4885GRIN2B 2067/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 SCD 2432/4885GRIN1 1435/4885GRIN2B 2067/4885

“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.