SCHEMBL4779549

SCHEMBL4779549

COc1ccccc1-c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
GAA P10253 2/20 0.61
TP53 P04637 1/20 0.61
NPC1 O15118 1/20 0.61
XDH P47989 1/20 0.51
FYN P06241 1/20 0.51
GCGR P47871 1/20 0.51
MAPK14 Q16539 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CDC7 O00311 1/20 0.50
APP P05067 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ADRA2A P08913 1/20 0.48

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
SCHEMBL30141977 1.00 RAB9A (0.61) RAB9ASMN1; SMN2GAATP53NPC1
Hydrochloric Acid SCHEMBL4778775 0.98 RAB9A (0.59) RAB9ASMN1; SMN2GAATP53NPC1
Acetic Acid SCHEMBL27884101 0.89 CDC7 (0.53) RAB9ASMN1; SMN2GAATP53NPC1
SCHEMBL27490560 0.84 RAB9A (0.51) RAB9ASMN1; SMN2GAATP53NPC1
SCHEMBL17124548 0.84 RAB9A (0.51) RAB9ASMN1; SMN2GAATP53NPC1
SCHEMBL11534865 0.83 NOTUM (0.48) RAB9ASMN1; SMN2GAATP53NPC1
SCHEMBL28308744 0.82 KDM4E (0.51) RAB9ASMN1; SMN2GAATP53NPC1
SCHEMBL294721 0.82 ALDH1A1 (0.58) RAB9ASMN1; SMN2GAATP53NPC1
SCHEMBL30136447 0.82 ALDH1A1 (0.58) RAB9ASMN1; SMN2GAATP53NPC1
SCHEMBL27520233 0.81 RAB9A (0.51) RAB9ASMN1; SMN2GAATP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699028-A It is substituted 4- phenylpyridine compounds as non-systemic TGR5 agonists 阿德利克斯公司 2018-10-23 CN disclosed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 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 (2 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 RAB9A 1014/4885SMN1; SMN2 478/4885GAA 44/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 RAB9A 1130/4885SMN1; SMN2 550/4885GAA 126/4885

“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.