SCHEMBL2776642

SCHEMBL2776642

c1ccc([N]c2ccc[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
FKBP5 Q13451 1/20 0.32
MIF P14174 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
SLC22A3 O75751 1/20 0.31
HTR3B O95264 1/20 0.31
PLAU P00749 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
NAPRT Q6XQN6 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
NOS3 P29474 1/20 0.30

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
SCHEMBL3194313 0.82 DAO (0.35) FKBP5NAPRTMAPT
SCHEMBL544525 0.71 DAO (0.35) FKBP5NAPRTMAPT
SCHEMBL544524 0.71 DAO (0.35) FKBP5NAPRTMAPT
SCHEMBL49629 0.69 ALDH1A1 (0.60) ALDH1A1MIFHTR3ESLC22A2SLC22A1
SCHEMBL967615 0.67
SCHEMBL3221479 0.67
Hydrogen Sulfide SCHEMBL3492611 0.67 ALDH1A1 (0.56) ALDH1A1MIFHTR3ESLC22A2SLC22A1
SCHEMBL14337371 0.63
SCHEMBL14337329 0.62 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL1922167 0.62 MTOR (0.45) ALDH1A1MEN1KMT2AMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-10364236-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2019-07-30 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-20180201608-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 2018-07-19 US disclosed
US-9987265-B2 Methods for treating post traumatic stress disorder AZEVAN PHARMACEUTICALS, INC. (US) 2018-06-05 US disclosed
US-9802925-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-20170174670-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS, INC. (US) 2017-06-22 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 (12 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 ALDH1A1 1136/4885FKBP5 5/4885MIF 4621/4885
US-20180201608-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B ALDH1A1 3383/4885FKBP5 1145/4885MIF 4647/4885
US-20200102294-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B ALDH1A1 3383/4885FKBP5 1145/4885MIF 4647/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN ALDH1A1 1136/4885FKBP5 5/4885MIF 4621/4885
US-20100016274-A1 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, FAAH2 ALDH1A1 1118/4885FKBP5 779/4885MIF 4106/4885
US-20200276167-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT ALDH1A1 1429/4885FKBP5 1014/4885MIF 3990/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B ALDH1A1 3383/4885FKBP5 1145/4885MIF 4647/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B ALDH1A1 3383/4885FKBP5 1145/4885MIF 4647/4885
US-10364236-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B ALDH1A1 3383/4885FKBP5 1145/4885MIF 4647/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT ALDH1A1 1429/4885FKBP5 1014/4885MIF 3990/4885
US-20170174670-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B ALDH1A1 3383/4885FKBP5 1145/4885MIF 4647/4885
US-20160339006-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER GPX4, CRH, TXN ALDH1A1 1136/4885FKBP5 5/4885MIF 4621/4885

“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.