SCHEMBL3207574

SCHEMBL3207574

COc1ccc(C)cc1CBr

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
L3MBTL1 Q9Y468 7/20 0.45
MAPT P10636 6/20 0.45
MAPK1 P28482 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
GAA P10253 3/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
SLC13A5 Q86YT5 1/20 0.44
HPGD P15428 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL8231646 0.83 ACHE (0.56) ACHEALDH1A1CYP3A4L3MBTL1MAPT
SCHEMBL11288361 0.83 ACHE (0.60) ACHEALDH1A1CYP3A4L3MBTL1MAPT
SCHEMBL8282401 0.81 ACHE (0.58) ACHEALDH1A1CYP3A4L3MBTL1MAPT
SCHEMBL27453036 0.80 ACHE (0.52) ACHEALDH1A1CYP3A4GAA
SCHEMBL1663130 0.79 SLC6A2 (0.46) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL10052083 0.79 CA2 (0.47) ALDH1A1GAAMEN1ALOX12KMT2A
SCHEMBL5471787 0.79 ACHE (0.56) ACHEALDH1A1CYP3A4L3MBTL1MAPT
SCHEMBL14394777 0.79 ACHE (0.56) ACHEALDH1A1CYP3A4L3MBTL1MAPT
SCHEMBL1264360 0.79 HTR2A (0.62) ALDH1A1MAPTMEN1KMT2A
SCHEMBL1990376 0.79 KDM4E (0.56) ALDH1A1L3MBTL1MAPTTDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9298094-B2 Composition for forming fine pattern and method for forming fined pattern using same MERCK PATENT GMBH (DE) 2016-03-29 US disclosed
US-20140127478-A1 COMPOSITION FOR FORMING FINE PATTERN AND METHOD FOR FORMING FINED PATTERN USING SAME AZ ELECTRONIC MATERIALS USA CORP. 2014-05-08 US disclosed
US-7671080-B2 1-benzylindole-2-carboxamide derivatives N.V. ORGANON (NL) 2010-03-02 US disclosed
US-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives N.V. ORGANON (NL) 2008-11-13 US disclosed
EP-1940788-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2008-07-09 EP disclosed
WO-2006100208-A9 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES ORGANON NV (NL) 2007-11-22 WO disclosed
WO-2006100208-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2006-09-28 WO disclosed
US-6545147-B1 E.g., a bicyclic manganese complex containing a bridging 2,6-bis(1,4,7-triazacyclononan-1-ylmethyl)4-methylphenoxide ligand, two bridging acetate groups and two perchlorate anions CLARIANT GMBH (DE) 2003-04-08 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-20080280923-A1 1-Benzylindole-2-Carboxamide Derivatives CNR2, CNR1, HTR2C ACHE 1002/4885ALDH1A1 151/4885CYP3A4 327/4885

“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.