SCHEMBL194445

SCHEMBL194445

CNC(=O)c1cc2c(cn1)[nH]c1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
MAPT P10636 4/20 1.00
KDM4E B2RXH2 3/20 1.00
LMNA P02545 3/20 1.00
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
PKM P14618 2/20 1.00
HPGD P15428 2/20 1.00
CYP2C19 P33261 2/20 1.00
PMP22 Q01453 2/20 1.00
HSD17B10 Q99714 2/20 1.00
RAB9A P51151 2/20 1.00
NPC1 O15118 2/20 1.00
TP53 P04637 1/20 1.00
CYP2C9 P11712 1/20 1.00
TSHR P16473 1/20 1.00
APEX1 P27695 1/20 1.00
THPO P40225 1/20 1.00
GABRP O00591 7/20 0.71
GABRD O14764 7/20 0.71

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
SCHEMBL30232368 1.00 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ELMNACYP1A2
SCHEMBL29425001 1.00 ALDH1A1 (1.00) ALDH1A1MAPTKDM4ELMNACYP1A2
SCHEMBL23997518 0.89 KDM4E (0.80) ALDH1A1MAPTKDM4ELMNACYP1A2
SCHEMBL1366897 0.87 KDM4E (0.77) ALDH1A1MAPTKDM4ELMNACYP1A2
SCHEMBL2253820 0.86 ALDH1A1 (0.75) ALDH1A1MAPTKDM4ELMNACYP1A2
SCHEMBL11092278 0.85 KMT2A (0.80) ALDH1A1MAPTKDM4ELMNACYP1A2
SCHEMBL7383821 0.85 ALDH1A1 (0.74) ALDH1A1MAPTKDM4ELMNACYP1A2
SCHEMBL7384067 0.85 ALDH1A1 (0.74) ALDH1A1MAPTKDM4ELMNACYP1A2
SCHEMBL10857122 0.84 GABRA1 (0.75) ALDH1A1MAPTKDM4ELMNACYP1A2
SCHEMBL7381871 0.83 KDM4E (0.71) ALDH1A1MAPTKDM4ELMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9757378-B2 Methods to modulate acute myeloid leukemia stem/progenitor cell expansion and/or differentiation UNIVERSITE DE MONTREAL (CA) 2017-09-12 US claimed
US-20140343051-A1 METHODS TO MODULATE ACUTE MYELOID LEUKEMIA STEM/PROGENITOR CELL EXPANSION AND/OR DIFFERENTIATION HOPITAL MAISONNEUVE-ROSEMONT (CA) 2014-11-20 US claimed
WO-2009049105-A2 METHODS FOR INDUCING SATIATION GELESIS, INC. (US) 2009-04-16 WO claimed
US-5010077-A Tranquilizers A/S FERROSAN (DK) 1991-04-23 US claimed
EP-0030254-B1 BETA-CARBOLIN-3-CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR THERAPEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 1984-10-31 EP claimed
EP-0030254-A1 Beta-carbolin-3-carboxylic acid derivatives, pharmaceutical compositions containing them and their therapeutical use SCHERING AKTIENGESELLSCHAFT (DE) 1981-06-17 EP claimed
US-20230320384-A1 Methods and Compositions for Weight Management and for Improving Glycemic Control GELESIS LLC (US) 2023-10-12 US disclosed
EP-3076987-B1 METHOD OF TREATING OR PREVENTING EPILEPSY OR SEIZURES USING ONE OR MORE NEURAL REGENERATION PEPTIDES CURONZ HOLDINGS COMPANY LTD (NZ) 2023-07-12 EP disclosed
US-20230041523-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-02-09 US disclosed
US-20230041523-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-02-09 US disclosed
US-11547706-B2 Methods and compositions for reducing tactile dysfunction and anxiety associated with autism spectrum disorder, Rett syndrome, and Fragile X syndrome PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-01-10 US disclosed
EP-4038392-A1 SCREENING WITH MASS SPECTROMETRY FOR MYCOBACTERIA PRIOR TO CARDIOTHORACIC SURGERY Imperial College Innovations Limited (GB) 2022-08-10 EP disclosed
US-20210154169-A1 INTRANASAL AND TRANSDERMAL ADMINISTRATION OF KAPPA-OPIOID-RECEPTOR AGONISTS: SALVINORIN A FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS SOLOMON ATLEE (US) 2021-05-27 US disclosed
US-4918084-A ANXIOLYTIC AGENTS; BENZODIAZEPINE INVERSE AGONIST ANTAGONISTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-04-17 US disclosed
US-4835151-A ANXIOLYTIC AGENTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1989-05-30 US disclosed
US-4738973-A ANXIOLYTIC AGENTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-04-19 US disclosed
EP-0216555-A2 Use of dioxopiperidine derivatives in the treatment of anxiety, for the reduction of chronic abnormally high brain levels of serotonin or 5-hydroxy-indoleacetic acid, and in the treatment of bacterial or viral infections BTG INTERNATIONAL LIMITED (GB) 1987-04-01 EP disclosed
EP-0030254-B1 BETA-CARBOLIN-3-CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR THERAPEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 1984-10-31 EP disclosed
US-4371536-A TRANQUILIZERS A/S FERROSAN (DK) 1983-02-01 US disclosed
EP-0030254-A1 Beta-carbolin-3-carboxylic acid derivatives, pharmaceutical compositions containing them and their therapeutical use SCHERING AKTIENGESELLSCHAFT (DE) 1981-06-17 EP 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 (3 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-11547706-B2 Methods and compositions for reducing tactile dysfunction and anxiety associated with autism spectrum disorder, Rett syndrome, and Fragile X syndrome MECP2, GABBR1, GABBR2 ALDH1A1 1643/4885MAPT 613/4885KDM4E 4124/4885
US-20140343051-A1 METHODS TO MODULATE ACUTE MYELOID LEUKEMIA STEM/PROGENITOR CELL EXPANSION AND/OR DIFFERENTIATION MCL1, AHR, MYADM ALDH1A1 28/4885MAPT 4855/4885KDM4E 1282/4885
US-20230041523-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS NLN, GLS, PRNP ALDH1A1 495/4885MAPT 11/4885KDM4E 2500/4885

“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.