SCHEMBL4779735

SCHEMBL4779735

NN(O)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.58
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
CA2 P00918 1/20 0.46
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
PRMT8 Q9NR22 1/20 0.45
MGLL Q99685 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

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 SCHEMBL2115265 0.97 AOC3 (0.56) AOC3ALDH1A1TSHRCA2CARM1
Hydrochloric Acid SCHEMBL3895103 0.97 AOC3 (0.56) AOC3ALDH1A1TSHRCA2CARM1
SCHEMBL4541170 0.81 AOC3 (0.41) AOC3ALDH1A1CA2NPC1RAB9A
SCHEMBL640126 0.78 ALDH1A1 (0.55) AOC3ALDH1A1TSHRCA2MGLL
SCHEMBL39645 0.78 CYP1A2 (0.55) AOC3ALDH1A1TSHRCA2MGLL
SCHEMBL833414 0.78 AOC3 (0.64) AOC3ALDH1A1TSHRCA2CARM1
SCHEMBL2219958 0.78 AOC3 (0.64) AOC3ALDH1A1TSHRCA2CARM1
SCHEMBL1794281 0.78 AOC3 (0.64) AOC3ALDH1A1TSHRCA2CARM1
Hydrochloric Acid SCHEMBL11779718 0.76 AOC3 (0.61) AOC3ALDH1A1TSHRCA2CARM1
Bromide SCHEMBL209320 0.76 ALDH1A1 (0.52) AOC3ALDH1A1TSHRCA2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024130066-A1 SUBSTITUTED TETRAHYDROPYRROLO-PYRIDINONE COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Karuna Therapeutics, Inc. (US) 2024-06-20 WO disclosed
WO-2024130064-A1 SUBSTITUTED TETRAHYDROPYRROLO-PYRIDINONE COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Karuna Therapeutics, Inc. (US) 2024-06-20 WO disclosed
WO-2024130065-A1 SUBSTITUTED DIHYDROPYRROLO[3, 4-D]PYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Karuna Therapeutics, Inc. (US) 2024-06-20 WO disclosed
WO-2024130062-A1 SUBSTITUTED TETRAHYDROPYRROLO-PYRIDINONE COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Karuna Therapeutics, Inc. (US) 2024-06-20 WO disclosed
EP-4225310-A1 HETEROARYL AMIDE INHIBITORS OF CD38 Napa Therapeutics Ltd. (VG) 2023-08-16 EP disclosed
CN-113574041-A Method for producing bisphenol and method for producing polycarbonate resin 三菱化学株式会社 2021-10-29 CN disclosed
US-20210300935-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences, S.R.L. (IT) 2021-09-30 US disclosed
CN-110382479-A The fluoro- 3- hydroxyl propyl- 2- base ester derivative of carbamic acid 1,1,1- tri- as MAGL inhibitor 辉瑞大药厂 2019-10-25 CN disclosed
CN-110234638-A Heteroaryl phenoxy benzamide KAPPA opiates ligand 辉瑞大药厂 2019-09-13 CN disclosed
CN-110198944-A Heterocyclic ring spiroring compounds as monoacylglycerol lipase inhibitor 辉瑞大药厂 2019-09-03 CN disclosed
EP-1991587-A2 HYDRAZIDO DERIVATIVES OF HYALURONIC ACID ProChon Biotech Ltd. (IL) 2008-11-19 EP disclosed
CN-101119969-A Aryl and heteroaryl substituted tetrahydroisoquinolines and their use to block reuptake of norepinephrine, dopamine, and serotonin AMR TECHNOLOGY INC (US) 2008-02-06 CN disclosed
US-20080010692-A1 Mammals carrying functional single nucleotide polymorphisms in brain-specific tryptophan hydroxylase DUKE UNIVERSITY 2008-01-10 US disclosed
WO-2007102149-A2 HYDRAZIDO DERIVATIVES OF HYALURONIC ACID PROCHON BIOTECH LTD. (IL) 2007-09-13 WO disclosed
CN-1782086-A Adeno-associated virus mediating trigenic cell expression system CAPITAL MEDICAL UNIV (CN) 2006-06-07 CN disclosed
CN-1102386-C 5-HT uptake inhibitors and selective 5-HT1ACompositions of antagonists ASTRA AG (SE) 2003-03-05 CN disclosed
CN-1187768-A Combination of 5-HT uptake inhibitors and selective 5-HT 1A antagonists ASTRA AB (SE) 1998-07-15 CN disclosed
WO-1996012706-A1 NOVEL ACID PYRAZOLE AND PYRAZOLONE DERIVATIVES FOR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ROUSSEL UCLAF (FR) 1996-05-02 WO disclosed
WO-1995027489-A1 COMPOSITION FOR TREATING NEUROLOGICAL DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-10-19 WO disclosed
WO-1982000143-A1 HETEROCYCLIC COMPOUNDS,METHOD FOR PREPARING SUCH COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANDOZ AG (CH) 1982-01-21 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 (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-20210300935-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 AOC3 4403/4885ALDH1A1 3081/4885TSHR 3468/4885

“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.