SCHEMBL4861038

SCHEMBL4861038

Cc1ccc(=N)n(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
EPHX2 P34913 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NFE2L2 Q16236 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2C P28335 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NOTUM Q6P988 3/20 0.41
MEN1 O00255 2/20 0.41

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
Hydrochloric Acid SCHEMBL4852356 0.98 HTT (0.43) HTTEPHX2CYP1A2CYP3A4CYP2C19
SCHEMBL329443 0.82 CYP1A2 (0.63) HTTCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL29875573 0.82 CYP1A2 (0.63) HTTCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL4858820 0.82 MEN1 (0.45) HTTEPHX2CYP1A2CYP3A4CYP2C19
SCHEMBL8569284 0.76 HTT (0.44) HTTEPHX2CYP1A2MAPTALDH1A1
SCHEMBL14269328 0.75 CTSK (0.40) HTTEPHX2CYP1A2CYP3A4CYP2C19
SCHEMBL4852270 0.75 CTSK (0.40) HTTEPHX2CYP1A2CYP3A4CYP2C19
SCHEMBL8428297 0.75 HTT (0.43) HTTEPHX2CYP1A2MAPTALDH1A1
SCHEMBL4852112 0.74 NOTUM (0.46) HTTCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL4850390 0.74 ALDH1A1 (0.40) HTTCYP1A2CYP3A4CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329757-B2 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7329757-B2 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7329757-B2 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2008-02-12 US disclosed
US-7186834-B2 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2007-03-06 US disclosed
US-7186834-B2 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2007-03-06 US disclosed
US-7186834-B2 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2007-03-06 US disclosed
US-20060122062-A1 Substituted iminoazines MULLER KLAUS-HELMUT 2006-06-08 US disclosed
US-20040029881-A1 Substituted iminoazines BAYER AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
EP-1286968-A2 SUBSTITUTED IMINOAZINES Bayer Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001090071-A2 SUBSTITUTED IMINOAZINES USED AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2001-11-29 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-20060122062-A1 Substituted iminoazines IDH2, DDT, CYP1A2 HTT 1976/4885EPHX2 501/4885CYP1A2 3/4885
US-20040029881-A1 Substituted iminoazines CYP4Z1, DDT, CYP1A1 HTT 2198/4885EPHX2 722/4885CYP1A2 5/4885

“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.