SCHEMBL853579

SCHEMBL853579

CC(C)NC(=O)c1ccc(N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
ALOX5 P09917 1/20 0.56
LMNA P02545 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 2/20 0.54
ALOX15 P16050 1/20 0.54
CYP2C19 P33261 1/20 0.54
PTGS2 P35354 1/20 0.54
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
APEX1 P27695 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
MAPT P10636 2/20 0.48

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
SCHEMBL8590217 0.89 MLYCD (0.70) MLYCDNPC1RAB9ALMNAALDH1A1
SCHEMBL8587216 0.86 NPC1 (0.57) MLYCDNPC1RAB9ALMNAALDH1A1
SCHEMBL5940593 0.84 NPC1 (0.55) MLYCDNPC1RAB9ALMNAALDH1A1
SCHEMBL2976653 0.83 MLYCD (0.59) MLYCDLMNAALDH1A1CYP1A2ALOX15
SCHEMBL104474 0.83 MLYCD (0.59) MLYCDNPC1RAB9ALMNAALDH1A1
Morpholine SCHEMBL28153661 0.83 ALDH1A1 (0.45) MLYCDNPC1RAB9AALOX5LMNA
SCHEMBL11936111 0.83 LMNA (0.58) MLYCDNPC1RAB9ALMNAALDH1A1
SCHEMBL10052242 0.83 MLYCD (0.63) MLYCDNPC1RAB9ALMNAALDH1A1
SCHEMBL5925500 0.82 CA2 (0.66) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL2660297 0.82 CA2 (0.66) NPC1RAB9ALMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060110743-A1 Drug evolution: drug design at hot spots KONISHI YASUO 2006-05-25 US claimed
WO-2002095393-A2 DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2002-11-28 WO claimed
CN-119661531-A Imidazolone compound as well as preparation method and application thereof 北京富龙康泰生物技术有限公司 2025-03-21 CN disclosed
EP-4019518-A1 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2022-06-29 EP disclosed
US-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2022-05-19 US disclosed
EP-3110820-B1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI INC (US) 2022-04-06 EP disclosed
US-20210386867-A1 FILTERABLE DUOCARMYCIN-CONTAINING ANTIBODY-DRUG CONJUGATE COMPOSITIONS AND RELATED METHODS BYONDIS B.V. (NL) 2021-12-16 US disclosed
US-11136633-B2 Site-specific conjugation of linker drugs to antibodies and resulting ADCS BYONDIS B.V. (NL) 2021-10-05 US disclosed
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 EP disclosed
US-20190209572-A1 BIFUNCTIONAL ANTIFUNGAL AGENTS AND METHODS OF TREATING FUNGAL INFECTION MERCK SHARP & DOHME CORP. 2019-07-11 US disclosed
US-4247456-A Water-insoluble monoazo pyridone dye CASSELLA AKTIENGESELLSCHAFT (DE) 1981-01-27 US disclosed
US-4233055-A Quaternary ammonioalkanecarboxylic acid anilides as plant growth influencing agents CIBA-GEIGY CORPORATION (US) 1980-11-11 US disclosed
US-4201707-A Methine dyestuffs containing a phenyl azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4156086-A INTERMEDIATES FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-05-22 US disclosed
US-4141718-A ANTIGROWTH AGENTS FOR PLANTS CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
US-4138570-A METHINE DYE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-06 US disclosed
US-4038268-A DIAZOTIZATION, COUPLING BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4006128-A CELLULOSE ACETATES, VINYL POLYMERS, POLYOLEFINS, POLYESTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed
US-3957749-A WATER-INSOLUBLE MONOAZO PYRIDINE DYES CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-18 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 (4 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-11136633-B2 Site-specific conjugation of linker drugs to antibodies and resulting ADCS MCL1, CD44, GLS2 MLYCD 859/4885NPC1 4716/4885RAB9A 3445/4885
US-20210386867-A1 FILTERABLE DUOCARMYCIN-CONTAINING ANTIBODY-DRUG CONJUGATE COMPOSITIONS AND RELATED METHODS DAD1, MGAM, DDOST MLYCD 773/4885NPC1 1463/4885RAB9A 660/4885
US-20190209572-A1 BIFUNCTIONAL ANTIFUNGAL AGENTS AND METHODS OF TREATING FUNGAL INFECTION ERG28, PAICS, BAK1 MLYCD 1488/4885NPC1 2358/4885RAB9A 3146/4885
US-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 HDAC10, HDAC1, HDAC11 MLYCD 3552/4885NPC1 2530/4885RAB9A 1927/4885

“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.