SCHEMBL10035259

SCHEMBL10035259

Clc1ccccc1-c1ccoc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.54
CSNK2A1 P68400 1/20 0.50
ACHE P22303 1/20 0.50
IMPDH2 P12268 2/20 0.46
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 1/20 0.42
MAOB P27338 2/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5781695 0.77 IMPDH2 (0.48) CYP2A6IMPDH2HPGDALDH1A1HSD17B10
SCHEMBL7584973 0.75 CSNK2A1 (0.47) CSNK2A1IMPDH2RAB9ATP53HPGD
SCHEMBL26259973 0.75 IMPDH2 (0.55) CSNK2A1IMPDH2ALDH1A1LMNAHSD17B10
SCHEMBL26259960 0.75 IMPDH2 (0.60) CSNK2A1IMPDH2SMN1; SMN2ALDH1A1LMNA
SCHEMBL28749556 0.74 ALDH1A1 (0.54) CSNK2A1ACHEIMPDH2NPC1RAB9A
SCHEMBL2558874 0.74 IMPDH2 (0.46) ACHEIMPDH2NPC1RAB9ASMN1; SMN2
SCHEMBL5648236 0.74 ALDH1A1 (0.54) IMPDH2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL395258 0.74 ALDH1A1 (0.54) CSNK2A1ACHEIMPDH2NPC1RAB9A
SCHEMBL28051267 0.74 IMPDH2 (0.47) ACHEIMPDH2NPC1RAB9ASMN1; SMN2
SCHEMBL23647859 0.74 IMPDH2 (0.42) CSNK2A1ACHEIMPDH2SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
WO-2012008435-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2012-01-19 WO 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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN CYP2A6 138/4885CSNK2A1 407/4885ACHE 3337/4885

“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.