SCHEMBL13367396

SCHEMBL13367396

COc1ccc(N(C)c2cccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
KMT2A Q03164 4/20 0.46
KDM4C Q9H3R0 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.45

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
SCHEMBL3409401 0.83 KCNA5 (0.49) ALDH1A1CYP3A4CYP1A2
SCHEMBL5075470 0.81 KCNA5 (0.50) ALDH1A1CYP3A4CYP1A2GAAMAPT
Hydrochloric Acid SCHEMBL4024971 0.81 KCNA5 (0.47) ALDH1A1CYP3A4CYP1A2
SCHEMBL12947815 0.80 RAB9A (0.45) KMT2AKDM4CALDH1A1RAB9ACYP3A4
SCHEMBL5998646 0.80 KDM4E (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9479727 0.79 CA4 (0.56) KDM4ENPC1HPGDCASP1CASP14
SCHEMBL5277509 0.79 CA4 (0.56) KDM4ENPC1HPGDCASP1CASP14
SCHEMBL114319 0.79 CA1 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13338800 0.79 TAAR1 (0.45) KMT2AKDM4EALDH1A1RAB9ACYP3A4
SCHEMBL969126 0.79 GRM5 (0.47) KMT2AKDM4EALDH1A1RAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 TUBB4A 2703/4885TUBB 3430/4885TUBA3C 3409/4885

“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.