SCHEMBL3783170

SCHEMBL3783170

Cc1nn(COCc2ccccc2)c2ccc(Br)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PTGER1 P34995 3/20 0.39
CYP1A2 P05177 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
ACHE P22303 2/20 0.38
CYP19A1 P11511 2/20 0.37
GLS O94925 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 1/20 0.36
PLA2G2A P14555 1/20 0.35
HTT P42858 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.35
GALR3 O60755 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NPY1R P25929 1/20 0.35

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
SCHEMBL3780196 0.81 CNR1 (0.36) ALDH1A1PTGDR2CNR1CNR2ACHE
SCHEMBL4312796 0.78 DGAT1 (0.43) ELANEGLSMAPTTSHR
SCHEMBL3562422 0.73 ADORA2A (0.36) ELANEGLSHTTMAPTTSHR
SCHEMBL730704 0.72 CA9 (0.53) ALDH1A1CYP1A2MEN1MAPTKMT2A
SCHEMBL18512334 0.71 ADORA2A (0.44) ELANECNR1CNR2GLSBCHE
SCHEMBL15687171 0.71 ADORA2A (0.41) ELANEGLSHTTGAAMAPT
SCHEMBL4317819 0.70 PIK3R1 (0.53) ALDH1A1CYP1A2CNR1CNR2MAPT
SCHEMBL24819639 0.68 CASP3 (0.51) ELANEALDH1A1CYP1A2HTTGAA
SCHEMBL2377813 0.68 CYP1A2 (0.47) CYP1A2HTTMAOBKMT2A
SCHEMBL30602797 0.68 CNR2 (0.53) ELANEALDH1A1CYP1A2PTGDR2CNR1

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-7655662-B2 (Indazol-5-yl)-pyrazines and (1,3-dihydro-indol-2-one)-pyrazines for treating glaucoma and controlling intraocular pressure ALCON RESEARCH, LTD. (US) 2010-02-02 US disclosed
CN-101340912-A (indazol-5-yl) -pyrazines and (1, 3-dihydro-indol-2-one) -pyrazines for the treatment of RHO kinase mediated diseases and conditions ALCON MFG LTD (US) 2009-01-07 CN disclosed
US-20070149548-A1 (INDAZOL-5-YL)-PYRAZINES AND (1,3-DIHYDRO-INDOL-2-ONE)-PYRAZINES FOR TREATING RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON MANUFACTURING, LTD. (US) 2007-06-28 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-20070149548-A1 (INDAZOL-5-YL)-PYRAZINES AND (1,3-DIHYDRO-INDOL-2-ONE)-PYRAZINES FOR TREATING RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK1, ROCK2, CIT ELANE 3881/4885ALDH1A1 2831/4885PTGER1 241/4885

“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.