SCHEMBL15024820

SCHEMBL15024820

Cc1ccc(N(c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.46
ALDH1A1 P00352 3/20 0.42
CYP2A6 P11509 2/20 0.42
CYP1A2 P05177 1/20 0.41
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
C5AR1 P21730 1/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL12744254 0.98 SIGMAR1 (0.47) SIGMAR1ALDH1A1CYP2A6CYP1A2RAB9A
SCHEMBL12744248 0.98 SIGMAR1 (0.47) SIGMAR1ALDH1A1CYP2A6CYP1A2RAB9A
SCHEMBL4895717 0.98 SIGMAR1 (0.47) SIGMAR1ALDH1A1CYP2A6CYP1A2RAB9A
SCHEMBL452290 0.98 SIGMAR1 (0.47) SIGMAR1ALDH1A1CYP2A6CYP1A2RAB9A
SCHEMBL4977548 0.98 SIGMAR1 (0.47) SIGMAR1ALDH1A1CYP2A6CYP1A2RAB9A
SCHEMBL4891181 0.96 SIGMAR1 (0.43) SIGMAR1ALDH1A1CYP2A6CYP1A2RAB9A
SCHEMBL15024679 0.95 SIGMAR1 (0.42) SIGMAR1ALDH1A1CYP2A6CYP1A2RAB9A
SCHEMBL19763126 0.95 SIGMAR1 (0.42) SIGMAR1ALDH1A1CYP2A6CYP1A2RAB9A
SCHEMBL15024795 0.95 SIGMAR1 (0.47) SIGMAR1ALDH1A1CYP2A6CYP1A2RAB9A
SCHEMBL2944852 0.95 SIGMAR1 (0.47) SIGMAR1ALDH1A1CYP2A6CYP1A2RAB9A

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-20170213986-A1 CHARGE TRANSPORT MATERIAL NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-27 US disclosed
US-20160301011-A1 ANILINE DERIVATIVES AND USES THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-13 US disclosed
US-9266906-B2 Copper(I) complexes for optoelectronic devices CYNORA GMBH (DE) 2016-02-23 US disclosed
US-20150340614-A1 BINUCLEAR METAL(I) COMPLEXES FOR OPTOELECTRONIC APPLICATIONS CYNORA GMBH (DE) 2015-11-26 US disclosed
US-9024026-B2 Copper (I) complexes for optoelectronic devices CYNORA GMBH (DE) 2015-05-05 US disclosed
US-20140326981-A1 HETEROLEPTIC COPPER COMPLEXES FOR OPTOELECTRONIC USES SAMSUNG DISPLAY CO., LTD. (KR) 2014-11-06 US disclosed
US-20140235006-A1 COPPER(I) COMPLEXES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-21 US disclosed
US-20130150581-A1 COPPER (I) COMPLEXES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2013-06-13 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-20150340614-A1 BINUCLEAR METAL(I) COMPLEXES FOR OPTOELECTRONIC APPLICATIONS OCIAD2, OCIAD1, CRY2 SIGMAR1 1005/4885ALDH1A1 2048/4885CYP2A6 3676/4885
US-20160301011-A1 ANILINE DERIVATIVES AND USES THEREOF SLC18A1, SLC18A2, SLC43A1 SIGMAR1 168/4885ALDH1A1 236/4885CYP2A6 1621/4885

“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.