SCHEMBL226568

SCHEMBL226568

C(=Nc1ccc2c(c1)Cc1cc(N=Cc3ccc4c(c3)Cc3ccccc3-4)ccc1-2)c1ccc2c(c1)Cc1ccccc1-2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.68
CYP3A4 P08684 3/20 0.68
CYP2C19 P33261 2/20 0.68
CYP2C9 P11712 1/20 0.68
ALDH1A1 P00352 5/20 0.61
MAPT P10636 5/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SRD5A2 P31213 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DHODH Q02127 1/20 0.40
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL225067 1.00 CYP1A2 (0.68) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL226567 1.00 CYP1A2 (0.68) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL225068 1.00 CYP1A2 (0.68) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL225263 0.92 MAPT (0.62) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL225264 0.92 MAPT (0.62) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL12416593 0.90 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL2454306 0.85 ALDH1A1 (0.61) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL2454305 0.85 ALDH1A1 (0.61) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL5350351 0.84 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL12416590 0.84 ALDH1A1 (0.56) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1

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-20120004386-A1 CONJUGATED THIOPHENES HAVING CONDUCTING PROPERTIES AND SYNTHESIS OF SAME UNIVERSITE DE MONTREAL (CA) 2012-01-05 US disclosed
US-8034895-B2 Conjugated thiophenes having conducting properties and synthesis of same Université de Montréal (CA) 2011-10-11 US disclosed
US-20070287842-A1 Conjugated Thiophenes Having Conducting Properties and Synthesis of Same UNIVERSITE DE MONTREAL (CA) 2007-12-13 US disclosed
WO-2005073265-A1 CONJUGATED THIOPHENES HAVING CONDUCTING PROPERTIES AND SYNTHESIS OF SAME UNIVERSITE DE MONTREAL (CA) 2005-08-11 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-20070287842-A1 Conjugated Thiophenes Having Conducting Properties and Synthesis of Same DDT, DDC, TRPA1 CYP1A2 1349/4885CYP3A4 1108/4885CYP2C19 1310/4885

“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.