SCHEMBL2776741

SCHEMBL2776741

[NH]C1CC(c2ccc(Cl)cc2)=NO1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NOTUM Q6P988 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAOB P27338 3/20 0.40

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
SCHEMBL14952332 0.78 CA1 (0.53) CA1CA2NPC1RAB9ANOTUM
SCHEMBL10586602 0.78 CA1 (0.53) CA1CA2NPC1RAB9ANOTUM
SCHEMBL12294594 0.75 NPC1 (0.65) CA1CA2NPC1RAB9AKMT2A
SCHEMBL28564102 0.75 NPC1 (0.65) CA1CA2NPC1RAB9AKMT2A
SCHEMBL3984065 0.74 NPC1 (0.59) CA1CA2NPC1RAB9AKMT2A
SCHEMBL21066127 0.74 NPC1 (0.49) CA1CA2NPC1RAB9ANOTUM
SCHEMBL10388005 0.73 POLB (0.72) CA1CA2NPC1RAB9AKMT2A
SCHEMBL3984062 0.73 CA1 (0.71) CA1CA2NPC1RAB9AKMT2A
SCHEMBL14880239 0.73 MAOB (0.52) CA1CA2NPC1RAB9AKMT2A
SCHEMBL12556024 0.69 MIF (0.76) CA1CA2NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11628160-B2 Compositions and methods for treating brain injury AZEVAN PHARMACEUTICALS, INC. (US) 2023-04-18 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-20190099410-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER AZEVAN PHARMACEUTICALS INC (US) 2019-04-04 US disclosed
EP-3351104-A1 COMPOUNDS FOR USE IN THE TREATMENT OF INTERMITTENT EXPLOSIVE DISORDER Azevan Pharmaceuticals, Inc. (US) 2018-07-25 EP disclosed
US-9987265-B2 Methods for treating post traumatic stress disorder AZEVAN PHARMACEUTICALS, INC. (US) 2018-06-05 US disclosed
US-20160339006-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-24 US disclosed
US-20100016274-A1 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-21 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 (6 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-20190099410-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER GPX4, CRH, TXN CA1 374/4885CA2 1804/4885NPC1 802/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN CA1 374/4885CA2 1804/4885NPC1 802/4885
US-20100016274-A1 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, FAAH2 CA1 1822/4885CA2 1387/4885NPC1 1146/4885
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT CA1 55/4885CA2 238/4885NPC1 705/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT CA1 55/4885CA2 238/4885NPC1 705/4885
US-20160339006-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER GPX4, CRH, TXN CA1 374/4885CA2 1804/4885NPC1 802/4885

“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.