SCHEMBL9971004

SCHEMBL9971004

CCc1cc(F)nc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
TRPA1 O75762 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL10264197 0.85 NPC1 (0.39) PTGS2CYP1A2CYP2A6LMNANPC1
SCHEMBL239913 0.84 NOS2 (0.45) LOXL2NOS3NOS1NOS2NPC1
SCHEMBL25537929 0.84 GPR84 (0.37) PTGS2CYP1A2CYP2A6TRPA1
SCHEMBL23335674 0.80 HMGCR (0.38) LOXL2
SCHEMBL22108088 0.80 PTGS2 (0.41) PTGS2CYP1A2LMNALOXL2SMN1; SMN2
SCHEMBL24434530 0.79 CNR1 (0.35) PTGS2TP53LOXL2NOS3NOS1
SCHEMBL501367 0.72 ACHE (0.43) LMNALOXL2GAAL3MBTL1
SCHEMBL22972375 0.72 LOXL2 (0.54) CYP2A6LOXL2SMN1; SMN2
SCHEMBL501885 0.72 TRPA1 (0.33) LMNALOXL2TRPA1GAAL3MBTL1
SCHEMBL4832258 0.72 KDM4E (0.39) LMNALOXL2NOS3NOS1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012262-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-20220020935-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-01-20 US disclosed
US-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2012-06-21 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 (3 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-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB PTGS2 1505/4885CYP1A2 4112/4885CYP2A6 2661/4885
US-20230012262-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 PTGS2 3192/4885CYP1A2 3194/4885CYP2A6 3103/4885
US-20220020935-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, LEF1 PTGS2 3508/4885CYP1A2 3587/4885CYP2A6 4351/4885

“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.