SCHEMBL3787138

SCHEMBL3787138

NCc1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.83
HRH3 Q9Y5N1 1/20 0.78
TAAR1 Q96RJ0 4/20 0.64
CYP3A4 P08684 4/20 0.61
TDP1 Q9NUW8 3/20 0.61
ALDH1A1 P00352 2/20 0.61
TP53 P04637 1/20 0.61
GFER P55789 1/20 0.52
TSHR P16473 1/20 0.52
CYP17A1 P05093 1/20 0.52
CYP19A1 P11511 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
HSD17B10 Q99714 1/20 0.50
CYP2A6 P11509 1/20 0.48
ADRB2 P07550 1/20 0.48
ABAT P80404 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
Hydrochloric Acid SCHEMBL31716096 0.97 LOXL2 (0.79) LOXL2HRH3TAAR1CYP3A4TDP1
SCHEMBL2545537 0.91 LOXL2 (1.00) LOXL2HRH3TAAR1CYP3A4TDP1
SCHEMBL76433 0.91
Hydrochloric Acid SCHEMBL3171444 0.88 LOXL2 (0.94) LOXL2HRH3TAAR1CYP3A4TDP1
Hydrochloric Acid SCHEMBL10796330 0.88 LOXL2 (0.94) LOXL2HRH3TAAR1CYP3A4TDP1
SCHEMBL2274647 0.88 HRH3 (1.00) LOXL2HRH3TAAR1CYP2A6ADRB2
Benzidine SCHEMBL29183472 0.82 CYP3A4 (0.79) LOXL2HRH3TAAR1CYP3A4TDP1
SCHEMBL3720966 0.82 LOXL2 (0.56) LOXL2HRH3TAAR1CYP3A4TDP1
SCHEMBL16544040 0.81 GFER (0.65) LOXL2TAAR1CYP3A4TDP1ALDH1A1
SCHEMBL6363182 0.80 CYP3A4 (0.82) LOXL2HRH3TAAR1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102656714-A Organic electroluminescent element SUMITOMO CHEMICAL CO 2012-09-05 CN disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
CN-100357271-C Hole transport materials with 9-phenyl carbazole as core and process for making same CHANGCHUN APPLIED CHEMISTRY (CN) 2007-12-26 CN disclosed
CN-1702066-A Hole transport materials with 9-phenyl carbazole as core and process for making same CHANGCHUN APPLIED CHEMISTRY (CN) 2005-11-30 CN 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 LOXL2 1544/4885HRH3 169/4885TAAR1 1746/4885

“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.