SCHEMBL7370695

SCHEMBL7370695

NCc1ccc(C(O)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.43
ABAT P80404 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
NR1I2 O75469 1/20 0.38
F10 P00742 1/20 0.38
F11 P03951 1/20 0.38
PNMT P11086 1/20 0.37
MAOB P27338 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CETP P11597 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 SCHEMBL26113329 0.98 LOXL2 (0.41) LOXL2ABATHRH3ESR1ESR2
SCHEMBL12323306 0.83 ESR1 (0.42) ESR1ESR2CYP4F2CYP4A11NR1I2
SCHEMBL14593355 0.82 ESR1 (0.48) ESR1ESR2CYP4F2CYP4A11NR1I2
SCHEMBL4946625 0.81 TAAR1 (0.40) ESR1ESR2CYP4F2CYP4A11MAOB
SCHEMBL5865851 0.79 TSHR (0.45) ESR1ESR2CYP4F2CYP4A11NR1I2
SCHEMBL28043083 0.79 NR1I2 (0.41) ESR1ESR2CYP4F2CYP4A11NR1I2
SCHEMBL27745223 0.78 ABAT (0.41) LOXL2ABATHRH3F10F11
SCHEMBL8236211 0.76 LPL (0.42) ESR1ESR2CYP4F2CYP4A11NR1I2
SCHEMBL1811371 0.76 ESR1 (0.39) ESR1ESR2CYP4F2CYP4A11NR1I2
SCHEMBL4410797 0.75 ABAT (0.52) LOXL2ABATHRH3F10F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259167-A1 FUROSEMIDE ANALOGUES AND COMPOSITIONS AND USES THEREOF FOR TREATMENT OF ALZHEIMER'S DISEASE UNIVERSITY HEALTH NETWORK (CA) 2022-08-18 US disclosed
WO-2020257940-A1 FUROSEMIDE ANALOGUES AND COMPOSITIONS AND USES THEREOF FOR TREATMENT OF ALZHEIMER'S DISEASE UNIVERSITY HEALTH NETWORK (CA) 2020-12-30 WO disclosed
CN-106573896-B Fluoroalkylating agents KUMIAI CHEMICAL INDUSTRY CO.,LTD. (JP) 2019-11-01 CN disclosed
CN-106573896-A Fluoroalkylating agents 庵原化学工业株式会社 2017-04-19 CN disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
CN-1254335-A Nicotinamide derivatives PFIZER PROD INC (US) 2000-05-24 CN disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO 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-20220259167-A1 FUROSEMIDE ANALOGUES AND COMPOSITIONS AND USES THEREOF FOR TREATMENT OF ALZHEIMER'S DISEASE APP, AQP4, BACE1 LOXL2 3334/4885ABAT 636/4885HRH3 3897/4885

“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.