SCHEMBL42905

SCHEMBL42905

[NH]Cc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.62
PDE2A O00408 3/20 0.40
TDO2 P48775 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
P2RX7 Q99572 1/20 0.37
CES2 O00748 1/20 0.37
MPL P40238 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
DAO P14920 1/20 0.36
MAOB P27338 1/20 0.36
PTPN5 P54829 1/20 0.35
POLB P06746 1/20 0.35
USP30 Q70CQ3 1/20 0.35
TRPA1 O75762 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
SCHEMBL7977134 0.83 IDO1 (0.62) IDO1PDE2ATDO2CYP3A4CYP2D6
SCHEMBL8883258 0.81 CES2 (0.47) IDO1PDE2ACYP3A4CYP2D6CES2
SCHEMBL18602429 0.81 IDO1 (0.59) IDO1PDE2ATDO2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5178051 0.80 IDO1 (0.64) IDO1TDO2CA1CA2CA9
SCHEMBL16758990 0.79 IDO1 (0.58) IDO1PDE2ACA1CA2CA9
SCHEMBL268985 0.79 IDO1 (0.58) IDO1PDE2ATDO2CA1CA2
SCHEMBL6566 0.79 IDO1 (0.62) IDO1PDE2ATDO2CA1CA2
SCHEMBL8189407 0.79 IDO1 (0.58) IDO1PDE2ACYP3A4CYP2D6CA1
SCHEMBL1167122 0.79 IDO1 (0.58) IDO1PDE2ACYP3A4CYP2D6CA1
SCHEMBL147418 0.79 IDO1 (0.58) IDO1PDE2ATDO2CYP3A4CYP2D6

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 39 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
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-02 US 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 (9 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 3872/4885PDE2A 203/4885TDO2 2877/4885
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B IDO1 2561/4885PDE2A 277/4885TDO2 3843/4885
US-20060217364-A1 Beta-lactamyl vasopressin V1a antagonists AVPR1A, AVPR2, AVPR1B IDO1 1950/4885PDE2A 581/4885TDO2 2637/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN IDO1 4709/4885PDE2A 981/4885TDO2 3330/4885
US-20060281728-A1 3-Substituted beta-lactamyl vasopressin v1a antagonists AVPR1A, AVPR2, AVPR1B IDO1 1485/4885PDE2A 588/4885TDO2 1915/4885
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT IDO1 3872/4885PDE2A 203/4885TDO2 2877/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B IDO1 2561/4885PDE2A 277/4885TDO2 3843/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B IDO1 2561/4885PDE2A 277/4885TDO2 3843/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT IDO1 3872/4885PDE2A 203/4885TDO2 2877/4885

“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.