SCHEMBL3785980

SCHEMBL3785980

Nc1cc(F)cc(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
TAAR1 Q96RJ0 4/20 0.52
HSD17B10 Q99714 2/20 0.48
CYP3A4 P08684 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
BRD4 O60885 1/20 0.46
MAP4K4 O95819 2/20 0.45
LDHA P00338 1/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ADORA2A P29274 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL31432876 1.00 MAOA (0.54) MAOATAAR1HSD17B10CYP3A4TDP1
SCHEMBL1100010 0.85 MAP4K4 (0.48) MAOATAAR1CYP3A4TDP1BRD4
SCHEMBL3785263 0.84 MAOA (0.58) MAOATAAR1CYP3A4BRD4MAP4K4
SCHEMBL3787835 0.84 TAAR1 (0.59) TAAR1HSD17B10CYP3A4TDP1BRD4
SCHEMBL4267156 0.83 MAOA (0.67) MAOATAAR1HSD17B10CYP3A4TDP1
Biphenyl SCHEMBL28360045 0.83 ALDH1A1 (0.53) MAOATAAR1HSD17B10CYP3A4TDP1
SCHEMBL13699010 0.83 ALDH1A1 (0.53) MAOATAAR1HSD17B10CYP3A4TDP1
SCHEMBL15837471 0.83 MAOA (0.67) MAOATAAR1HSD17B10CYP3A4TDP1
SCHEMBL411336 0.83 ALDH1A1 (0.53) MAOATAAR1HSD17B10CYP3A4TDP1
SCHEMBL3995431 0.83 MAOA (0.67) MAOATAAR1HSD17B10CYP3A4TDP1

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
US-11937499-B2 Aromatic amine derivative and organic electroluminescent devices containing the same Beijing Summer Sprout Technology Co., Ltd. (CN) 2024-03-19 US disclosed
US-20210066595-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING THE SAME Beijing Summer Sprout Technology Co., Ltd. (CN) 2021-03-04 US disclosed
US-20210066595-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING THE SAME Beijing Summer Sprout Technology Co., Ltd. (CN) 2021-03-04 US 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

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-20210066595-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING THE SAME TYR, DDC, AOC2 MAOA 31/4885TAAR1 112/4885HSD17B10 3834/4885
US-11937499-B2 Aromatic amine derivative and organic electroluminescent devices containing the same TYR, DDC, AOC2 MAOA 31/4885TAAR1 112/4885HSD17B10 3834/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MAOA 348/4885TAAR1 1746/4885HSD17B10 1100/4885

“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.