Sugi Predict

Sugi Predict / Compounds / SCHEMBL1354441

SCHEMBL1354441

SCHEMBL1354441

NCc1cc(F)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ MPO P05164 2/20 0.46
▸ LOXL2 Q9Y4K0 2/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ ATP4A P20648 1/20 0.38
▸ ATP4B P51164 1/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ AGXT P21549 2/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ TAAR1 Q96RJ0 3/20 0.36
▸ AOC1 P19801 2/20 0.35
▸ AOC3 Q16853 2/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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 SCHEMBL2446106 0.98 ALDH1A1 (0.50) ALDH1A1MPOLOXL2KEAP1ATP4A
SCHEMBL7197602 0.83 ALDH1A1 (0.54) ALDH1A1MPOKEAP1ATP4AATP4B
SCHEMBL28266587 0.83 ALDH1A1 (0.45) ALDH1A1MPOLOXL2AGXTTAAR1
SCHEMBL1398079 0.81 ALDH1A1 (0.46) ALDH1A1MPOLOXL2KEAP1IDO1
SCHEMBL29467989 0.81 ALDH1A1 (0.46) ALDH1A1MPOLOXL2KEAP1IDO1
SCHEMBL1398042 0.80 MPO (0.48) ALDH1A1MPOLOXL2IDO1AGXT
SCHEMBL24394689 0.79 ALDH1A1 (0.50) ALDH1A1MPOKEAP1ATP4AATP4B
Hydrochloric Acid SCHEMBL2527877 0.79 ALDH1A1 (0.44) ALDH1A1MPOLOXL2KEAP1IDO1
SCHEMBL15597740 0.79 ALDH1A1 (0.50) ALDH1A1MPOKEAP1ATP4AATP4B
SCHEMBL5293147 0.79 ALDH1A1 (0.50) ALDH1A1MPOKEAP1ATP4AATP4B

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106883188-A A kind of benzodiazepine compounds of 5 hydrogen 1,4 and its synthetic method 上海交通大学 2017-06-23 — — CN claimed
CN-101203244-A Compositions of rennin inhibitor and insulin secernent or insulin sensitizer NOVARTIS AG (CH) 2008-06-18 — — CN claimed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 — — CN claimed
CN-108264489-B Method for synthesizing quinazoline in water 南京理工大学 2021-06-08 — — CN disclosed
CN-106902123-B Application of 5-hydro-1, 4-benzodiazepine compound in treating liver cancer 上海交通大学 2020-08-25 — — CN disclosed
CN-106883188-B 5-hydrogen-1, 4-benzodiazepine compound and synthesis method thereof 上海交通大学 2020-06-30 — — CN disclosed
CN-108026083-A Diamide macrocycles as factor XIA inhibitors 百时美施贵宝公司 2018-05-11 — — CN disclosed
CN-106902123-A Application of the benzodiazepine compounds of 5 hydrogen 1,4 in liver cancer is treated 上海交通大学 2017-06-30 — — CN disclosed
CN-106883188-A A kind of benzodiazepine compounds of 5 hydrogen 1,4 and its synthetic method 上海交通大学 2017-06-23 — — CN disclosed
US-9073961-B2 Substitution derivatives of N6 -benzyladenosine-5′-monophosphate, methods of preparation thereof, use thereof as medicaments, and therapeutic preparations containing these compounds UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2015-07-07 — — US disclosed
US-9023857-B2 Substituted 6-(2-aminobenzylamino)purine derivatives, their use as medicaments and preparations containing these compounds UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2015-05-05 — — US disclosed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 — — 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
EP-1888538-A1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR F. Hoffmann-Roche AG (CH) 2008-02-20 — — EP disclosed
EP-1871748-A1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-INDAN-1-YL-AMINES F. Hoffmann-Roche AG (CH) 2008-01-02 — — EP disclosed
US-20060252779-A1 (3,4-Dihydro-quinazolin-2-yl)-(2-aryloxy-ethyl)-amine HOFFMANN-LA ROCHE INC. 2006-11-09 — — US disclosed
WO-2006117305-A1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2006-11-09 — — WO 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 (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-20060229323-A1 (3,4-Dihydro-quinazolin-2-yl)-indan-1-yl-amines HTR5A, HTR1A, HTR1E ALDH1A1 281/4885MPO 1747/4885LOXL2 3011/4885
US-20060252779-A1 (3,4-Dihydro-quinazolin-2-yl)-(2-aryloxy-ethyl)-amine HTR5A, NPY5R, HTR3A ALDH1A1 780/4885MPO 4728/4885LOXL2 3745/4885

“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.