SCHEMBL41932

SCHEMBL41932

[NH]Cc1cccc(C(F)(F)F)c1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.44
AKR1B1 P15121 1/20 0.42
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 1/20 0.39
TDO2 P48775 1/20 0.39
P2RX7 Q99572 8/20 0.37
MPL P40238 2/20 0.37
FFAR4 Q5NUL3 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL41933 0.81 MAOB (0.47) IDO1AKR1B1ALDH1A1POLBTDP1
SCHEMBL43012 0.80 IDO1 (0.59) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL17830317 0.80 AKR1B1 (0.40) IDO1AKR1B1TDO2P2RX7MPL
SCHEMBL5097748 0.79 IDO1 (0.44) IDO1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL150130 0.79 IDO1 (0.46) IDO1AKR1B1ALDH1A1POLBTDP1
SCHEMBL5415312 0.79 GABRA1 (0.46) IDO1AKR1B1P2RX7
SCHEMBL1607338 0.79 AKR1B1 (0.42) IDO1AKR1B1P2RX7MPLFFAR4
SCHEMBL1607335 0.79 AKR1B1 (0.46) IDO1AKR1B1P2RX7MPLFFAR4
SCHEMBL20560274 0.79 AKR1B1 (0.42) IDO1AKR1B1ALDH1A1POLBTDP1
SCHEMBL841044 0.79 AKR1B1 (0.42) IDO1AKR1B1ALDH1A1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US claimed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US claimed
EP-3351104-B1 COMPOUNDS FOR USE IN THE TREATMENT OF INTERMITTENT EXPLOSIVE DISORDER AZEVAN PHARMACEUTICALS INC (US) 2020-12-09 EP claimed
US-9597314-B2 Beta-lactamylalkanoic acids for treating premenstrual disorders AZEVAN PHARMACEUTICALS, INC. (US) 2017-03-21 US claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US disclosed
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS INC (US) 2023-04-20 US disclosed
US-11628160-B2 Compositions and methods for treating brain injury AZEVAN PHARMACEUTICALS, INC. (US) 2023-04-18 US disclosed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US disclosed
US-10953001-B2 Methods for treating post traumatic stress disorder AZEVAN PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
EP-3351104-B1 COMPOUNDS FOR USE IN THE TREATMENT OF INTERMITTENT EXPLOSIVE DISORDER AZEVAN PHARMACEUTICALS INC (US) 2020-12-09 EP disclosed
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS INC (US) 2020-09-03 US disclosed
EP-3681871-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY Azevan Pharmaceuticals, Inc. (US) 2020-07-22 EP disclosed
WO-2007109615-A2 β -LACTAMYL VASOPRESSIN V2 ANTAGONISTS AZEVAN PHARMACEUTICALS, INC. (US) 2007-09-27 WO disclosed
WO-2007109098-A2 HYDROXY AND KETO-SUBSTITUTED β-LACTAMYL ALKANEDIOIC ACIDS AZEVAN PHARMACEUTICALS, INC. (US) 2007-09-27 WO disclosed
US-7268125-B2 β-lactamyl vasopressin V1a antagonists AZEVAN PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-20060281728-A1 3-Substituted beta-lactamyl vasopressin v1a antagonists AZEVAN PHARMACEUTICALS, INC. 2006-12-14 US disclosed
US-7119083-B2 β-Lactamyl vasopressin V1a Antagonists AZEVAN PHARMACEUTICALS, INC. (US) 2006-10-10 US disclosed
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-28 US disclosed
WO-2006102308-A2 BETA-LACTAMYL VASOPRESSIN V1B ANTAGONISTS AZEVAN PHARMACEUTICALS, INC. (US) 2006-09-28 WO disclosed
WO-2005035492-A1 3-SUBSTITUTED β-LACTAMYL VASOPRESSIN V1A ANTAGONISTS SERENIX PHARMACEUTICALS, LLC. (US) 2005-04-21 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 (8 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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT IDO1 3872/4885AKR1B1 3052/4885ALDH1A1 1429/4885
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists AVPR1A, AVPR2, AVPR1B IDO1 1950/4885AKR1B1 505/4885ALDH1A1 1170/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN IDO1 4709/4885AKR1B1 1996/4885ALDH1A1 1136/4885
US-20060281728-A1 3-Substituted beta-lactamyl vasopressin v1a antagonists AVPR1A, AVPR2, AVPR1B IDO1 1485/4885AKR1B1 456/4885ALDH1A1 1333/4885
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT IDO1 3872/4885AKR1B1 3052/4885ALDH1A1 1429/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B IDO1 2561/4885AKR1B1 1156/4885ALDH1A1 3383/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B IDO1 2561/4885AKR1B1 1156/4885ALDH1A1 3383/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT IDO1 3872/4885AKR1B1 3052/4885ALDH1A1 1429/4885

“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.