SCHEMBL13865701

SCHEMBL13865701

CCc1cc(C(F)(F)F)cnc1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CRHR1 P34998 1/20 0.38
POLB P06746 3/20 0.37
GAA P10253 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL21036024 0.87 AGBL2 (0.36) AGBL2L3MBTL1ALDH1A1HPGDMEN1
SCHEMBL13848696 0.82 NOS3 (0.37) AGBL2ALDH1A1NPSR1POLBNOS3
SCHEMBL28658726 0.79 NPSR1 (0.43) AGBL2L3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL29851143 0.79 NPSR1 (0.43) AGBL2L3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL24675316 0.79 AGBL2 (0.46) AGBL2L3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL24177929 0.78 AGBL2 (0.41) AGBL2L3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL31018138 0.77 AGBL2 (0.50) AGBL2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2084458 0.77 AGBL2 (0.50) AGBL2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9886104 0.77 LMNA (0.43) AGBL2ALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL17778214 0.77 AGBL2 (0.47) AGBL2L3MBTL1ALDH1A1HPGDSMN1; 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
EP-3555106-B1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC (US) 2022-03-09 EP disclosed
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 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-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain U2SURP, UMPS, SFPQ AGBL2 4820/4885L3MBTL1 3424/4885ALDH1A1 1439/4885

“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.