SCHEMBL10246778

SCHEMBL10246778

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(C(c4ccccc4)c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
ACP3 P15309 2/20 0.42
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 5/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP2D6 P10635 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.39
CFTR P13569 1/20 0.38
GOPC Q9HD26 1/20 0.38
HDAC1 Q13547 1/20 0.37

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
SCHEMBL25787421 1.00 CHRNB2 (0.47) CHRNB2CHRNA4ACP3CYP3A4ALDH1A1
SCHEMBL26472468 0.98 CHRNB2 (0.45) CHRNB2CHRNA4ACP3CYP3A4ALDH1A1
SCHEMBL20177076 0.98 CHRNB2 (0.45) CHRNB2CHRNA4ACP3CYP3A4ALDH1A1
SCHEMBL15780715 0.98 CHRNB2 (0.45) CHRNB2CHRNA4ACP3CYP3A4ALDH1A1
SCHEMBL19628359 0.98 CHRNB2 (0.45) CHRNB2CHRNA4ACP3CYP3A4ALDH1A1
SCHEMBL17885889 0.98 CHRNB2 (0.45) CHRNB2CHRNA4ACP3CYP3A4ALDH1A1
SCHEMBL17692405 0.98 CHRNB2 (0.45) CHRNB2CHRNA4ACP3CYP3A4ALDH1A1
SCHEMBL13760656 0.98 CHRNB2 (0.43) CHRNB2CHRNA4ACP3CYP3A4ALDH1A1
SCHEMBL13170726 0.96 ALDH1A1 (0.46) CHRNB2CHRNA4ACP3CYP3A4ALDH1A1
SCHEMBL2704141 0.96 ALDH1A1 (0.46) CHRNB2CHRNA4ACP3CYP3A4ALDH1A1

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-8865323-B2 Biscarbazole derivative, material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-10-21 US disclosed
US-8865323-B2 Biscarbazole derivative, material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-10-21 US disclosed
US-8803134-B2 Biscarbazole derivatives and organic electroluminescence IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 US disclosed
US-8803134-B2 Biscarbazole derivatives and organic electroluminescence IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 US disclosed
US-20120223295-A1 BISCARBAZOLE DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE IDEMITSU KOSAN CO., LTD. (JP) 2012-09-06 US disclosed
US-20120223295-A1 BISCARBAZOLE DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE IDEMITSU KOSAN CO., LTD. (JP) 2012-09-06 US disclosed
US-20120138912-A1 BISCARBAZOLE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2012-06-07 US disclosed
US-20120138912-A1 BISCARBAZOLE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2012-06-07 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 (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-20120223295-A1 BISCARBAZOLE DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE EED, GABRE, EML4 CHRNB2 2187/4885CHRNA4 973/4885ACP3 3295/4885
US-20120138912-A1 BISCARBAZOLE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME UQCRB, OXA1L, HBS1L CHRNB2 1382/4885CHRNA4 349/4885ACP3 4691/4885

“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.