SCHEMBL4590973

SCHEMBL4590973

NCc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
IDO1 P14902 2/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
CFTR P13569 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL31472982 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL28230962 0.84 ESR1 (0.38) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL3556000 0.83 IDO1 (0.44) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL14367955 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL31706466 0.82 IDO1 (0.43) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL5102965 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL5918421 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL13202273 0.81 TAAR1 (0.44) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL28097878 0.81 AOC1 (0.32) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL27721574 0.81 NR1H2 (0.41) ALDH1A1KDM4EHPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115925642-B Synthesis method of 1, 4-benzodiazepine Zhuo Zahuan derivative 枣庄学院 2025-02-07 CN disclosed
CN-115925642-A Synthesis method of 1, 4-benzodiazepine heterocyclic derivative 枣庄学院 2023-04-07 CN disclosed
CN-111925334-B Synthetic method of 5H-1, 4-benzodiazepine compound 扬州大学 2021-11-23 CN disclosed
CN-111925334-A Synthetic method of 5H-1, 4-benzodiazepine compound 扬州大学 2020-11-13 CN disclosed
CN-101155787-B (3,4-dihydro-quinazolin-2-yl)-indan-1-yl-amines HOFFMANN LA ROCHE 2010-11-24 CN disclosed
CN-101155787-A (3,4-dihydro-quinazolin-2-yl)-indan-1-yl-amines HOFFMANN LA ROCHE (CH) 2008-04-02 CN disclosed
US-7348332-B2 (3,4-dihydro-quinazolin-2-yl)-indan-1-yl-amines HOFFMANN-LA ROCHSE INC. (US) 2008-03-25 US disclosed
US-7348332-B2 (3,4-dihydro-quinazolin-2-yl)-indan-1-yl-amines HOFFMANN-LA ROCHSE INC. (US) 2008-03-25 US disclosed
US-7348332-B2 (3,4-dihydro-quinazolin-2-yl)-indan-1-yl-amines HOFFMANN-LA ROCHSE INC. (US) 2008-03-25 US disclosed
EP-1871748-A1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-INDAN-1-YL-AMINES F. Hoffmann-Roche AG (CH) 2008-01-02 EP disclosed
WO-2006108773-A1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-INDAN-1-YL-AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed
US-20060229323-A1 (3,4-Dihydro-quinazolin-2-yl)-indan-1-yl-amines F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 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 (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-20060229323-A1 (3,4-Dihydro-quinazolin-2-yl)-indan-1-yl-amines HTR5A, HTR1A, HTR1E ALDH1A1 281/4885KDM4E 928/4885PKM 3499/4885

“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.