SCHEMBL2967044

SCHEMBL2967044

CCC(C)(C)c1cccc(N)c1Br

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
PIK3CA P42336 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
ESR1 P03372 1/20 0.32
AR P10275 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CD44 P16070 1/20 0.30
CA2 P00918 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9812334 0.79 CA2 (0.44) GABRA1GABRB2CYP3A4TSHRPIK3CA
SCHEMBL583082 0.79 CYP3A4 (0.39) CYP3A4TSHRPIK3CANPC1MAPT
SCHEMBL2975923 0.78 CYP3A4 (0.50) GABRA1GABRB2CYP3A4TSHRPIK3CA
SCHEMBL574123 0.77 ALDH1A1 (0.42) GABRA1GABRB2TSHRESR1ESR2
SCHEMBL15950944 0.76 CYP3A4 (0.36) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL2966359 0.74 NPC1 (0.32) CYP3A4TSHRPIK3CANPC1MAPT
SCHEMBL6386087 0.72 CA2 (0.39) GABRA1GABRB2TSHRNPC1MAPT
SCHEMBL7765833 0.72 CYP3A4 (0.32) CYP3A4TSHRPIK3CA
SCHEMBL779788 0.71 MAPK1 (0.41) TSHRNPC1MAPTRAB9AALDH1A1
SCHEMBL10608749 0.71 RIPK1 (0.39) TSHRNPC1RAB9AALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767625-B2 Carboxanilides as microbiocides SYNGENTA CROP PROTECTION, INC. (US) 2010-08-03 US disclosed
US-20080214532-A1 Carboxanilides as Microbiocides SYNGENTA CROP PROTECTION, INC. 2008-09-04 US disclosed
EP-1861374-A1 CARBOXANILIDES AS MICROBIOCIDES Syngeta Participations AG (CH) 2007-12-05 EP disclosed
WO-2006100039-A1 CARBOXANILIDES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-09-28 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-20080214532-A1 Carboxanilides as Microbiocides CD14, FPR1, MPO GABRA1 1715/4885GABRB2 1874/4885CYP3A4 106/4885

“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.