SCHEMBL10069121

SCHEMBL10069121

Cc1cc(C)cc(N(c2ccc(C#N)cc2)c2cc(C)c3ccc4c(N(c5ccc(C#N)cc5)c5cc(C)cc(C)c5)cc(C)c5ccc2c3c54)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.37
ALDH1A1 P00352 1/20 0.37
IDH1 O75874 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
GFER P55789 1/20 0.31
GRM2 Q14416 1/20 0.30
HCRTR2 O43614 1/20 0.30
CHEK1 O14757 1/20 0.30

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
SCHEMBL10069240 0.93 ALDH1A1 (0.38) CYP2A6ALDH1A1NOS3NOS1GRM2
SCHEMBL10068677 0.92 CYP2A6 (0.47) CYP2A6ALDH1A1IDH1NOS3NOS1
SCHEMBL19505954 0.91 CYP2A6 (0.37) CYP2A6ALDH1A1NOS3NOS1GRM2
SCHEMBL19885517 0.91 ALDH1A1 (0.30) CYP2A6ALDH1A1
SCHEMBL10038679 0.91 ALDH1A1 (0.30) CYP2A6ALDH1A1
SCHEMBL10068689 0.87 CRHBP (0.37) CYP2A6ALDH1A1NOS3NOS1GFER
SCHEMBL10118867 0.86 ALDH1A1 (0.42) CYP2A6ALDH1A1NOS3NOS1GFER
SCHEMBL10068678 0.85 CYP2A6 (0.35) CYP2A6ALDH1A1IDH1GFERHCRTR2
SCHEMBL10069123 0.85 CYP2A6 (0.51) CYP2A6ALDH1A1IDH1NOS3NOS1
SCHEMBL10068832 0.84 ALDH1A1 (0.33) CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9923146-B2 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-03-20 US disclosed
US-20170309822-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2017-10-26 US disclosed
US-20160181527-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-9331285-B2 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2016-05-03 US disclosed
US-20120013244-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-01-19 US disclosed
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. 2011-12-08 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 (3 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-20120013244-A1 ORGANIC LUMINESCENT MEDIUM ANXA1, ANXA11, GLB1 CYP2A6 1167/4885ALDH1A1 61/4885IDH1 539/4885
US-20170309822-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME H1-4, H1-2, H1-0 CYP2A6 3351/4885ALDH1A1 672/4885IDH1 2706/4885
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same H1-4, H1-2, H1-0 CYP2A6 3351/4885ALDH1A1 672/4885IDH1 2706/4885

“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.