SCHEMBL49953

SCHEMBL49953

CC(=O)Nc1cccc(C)n1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.75
GRM5 P41594 7/20 0.66
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
NPC1 O15118 5/20 0.62
GBA1 P04062 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.60
TP53 P04637 2/20 0.60
MAPT P10636 1/20 0.60

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
SCHEMBL29704545 1.00 RAB9A (0.75) RAB9AGRM5MEN1KMT2AKDM4E
Acetic Acid SCHEMBL4119499 0.96 RAB9A (0.70) RAB9AGRM5MEN1KMT2AKDM4E
SCHEMBL821844 0.87 KDM4E (0.71) RAB9AGRM5MEN1KMT2AKDM4E
SCHEMBL31725239 0.86 RAB9A (0.78) RAB9AGRM5MEN1KMT2ANPC1
SCHEMBL3119185 0.86 RAB9A (0.78) RAB9AGRM5MEN1KMT2ANPC1
SCHEMBL14353530 0.86 RAB9A (1.00) RAB9AGRM5MEN1KMT2ALMNA
SCHEMBL5631286 0.82 RAB9A (0.72) RAB9AGRM5MEN1KMT2ANPC1
SCHEMBL5034141 0.82 RAB9A (0.72) RAB9AGRM5MEN1KMT2ANPC1
SCHEMBL30509648 0.82 RAB9A (0.72) RAB9AGRM5MEN1KMT2ANPC1
SCHEMBL6663529 0.82 RAB9A (0.66) RAB9AGRM5MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730141-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-12-13 EP claimed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 WO claimed
EP-0500616-B1 OLIGOMERIC TO POLYMERIC CHARACTER COMPLEXES ATOTECH DEUTSCHLAND GMBH (DE) 1998-01-07 EP claimed
US-5503877-A ORGANONITROGEN, ORGANOMETALLIC POLYMERS OR OLIGOMERS;REDUCTION ATOTECH DEUTSCHALND GMBH (DE) 1996-04-02 US claimed
US-4021437-A 6-Ethylamino-2-picoline from 6-acetamido-2-picoline STERLING DRUG INC. (US) 1977-05-03 US claimed
EP-3728368-B1 METHOD FOR REDUCTION OF ALDEHYDE EMISSION IN POLYURETHANE COMPRISING MATERIALS HUNTSMAN INT LLC (US) 2025-10-22 EP disclosed
US-12129330-B2 Method for reduction of aldehyde emission in polyurethane comprising materials HUNTSMAN INTERNATIONAL LLC 2024-10-29 US disclosed
US-20240166793-A1 METHOD FOR REDUCTION OF ALDEHYDE EMISSION IN POLYURETHANE COMPRISING MATERIALS HUNTSMAN INTERNATIONAL LLC 2024-05-23 US disclosed
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US disclosed
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
US-4689342-A MITICIDES, NEMATOCIDES ROUSSEL UCLAF (FR) 1987-08-25 US disclosed
EP-0110769-B1 ESTERS DERIVED FROM 2,2-DIMETHYLCYCLOPROPANE-CARBOXYLIC ACIDS AND BIARYL ALCOHOLS, PROCESS FOR THEIR PREPARATION, THEIR USE AS PARASITICIDES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1986-03-05 EP disclosed
EP-0110769-A1 Esters derived from 2,2-dimethylcyclopropane-carboxylic acids and biaryl alcohols, process for their preparation, their use as parasiticides and compositions containing them ROUSSEL-UCLAF (FR) 1984-06-13 EP disclosed
US-4203988-A ANTISECRETORY AGENTS MERCK & CO., INC. (US) 1980-05-20 US disclosed
US-4118557-A Cyclic alkylidenyl N-(lower-alkyl)-3-(pyridinyl)anilinomethylenemalonates STERLING DRUG INC. (US) 1978-10-03 US disclosed
US-4021437-A 6-Ethylamino-2-picoline from 6-acetamido-2-picoline STERLING DRUG INC. (US) 1977-05-03 US disclosed
US-4021437-A 6-Ethylamino-2-picoline from 6-acetamido-2-picoline STERLING DRUG INC. (US) 1977-05-03 US disclosed
US-4021437-A 6-Ethylamino-2-picoline from 6-acetamido-2-picoline STERLING DRUG INC. (US) 1977-05-03 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 (2 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR RAB9A 1430/4885GRM5 3312/4885MEN1 1926/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 RAB9A 3922/4885GRM5 154/4885MEN1 3058/4885

“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.