SCHEMBL17535882

SCHEMBL17535882

COc1ccc(Br)c(-c2ccc(F)cc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.46
MAPK14 Q16539 4/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AKR1A1 P14550 1/20 0.40
AKR1B1 P15121 1/20 0.40
NFE2L2 Q16236 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TRPA1 O75762 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6449465 0.82 CA1 (0.48) MAPTRAB9ANPC1ALDH1A1NPSR1
SCHEMBL9912737 0.79 MAPT (0.47) MAPK14MAPTGAAL3MBTL1NFE2L2
SCHEMBL30610959 0.79 MAPT (0.47) MAPK14MAPTGAAL3MBTL1NFE2L2
SCHEMBL276828 0.78 EGFR (0.48) AMY1AMAPTNFE2L2ALDH1A1KDM4E
SCHEMBL29785358 0.78 EGFR (0.48) AMY1AMAPTNFE2L2ALDH1A1KDM4E
SCHEMBL10340365 0.78 AMY1A (0.50) AMY1AMAPTRAB9AALDH1A1NPSR1
SCHEMBL6068558 0.75 CYP2C19 (0.55) AMY1AMAPK14MAPTGAAL3MBTL1
SCHEMBL19320907 0.75 SMN1; SMN2 (0.51) GAARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL15658874 0.74 CYP1A1 (0.48) MAPK14MAPTL3MBTL1NFE2L2RAB9A
SCHEMBL2992525 0.74 MAPK14 (0.50) MAPK14AKR1A1AKR1B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 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-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 AMY1A 2181/4885MAPK14 544/4885MAPT 3594/4885

“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.