SCHEMBL174073

SCHEMBL174073

C=CC(=O)N(C(=O)C=C)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
TRPM8 Q7Z2W7 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL22187005 0.85 ALDH1A1 (0.54) KMT2ANPC1RAB9AHSD17B10ALDH1A1
SCHEMBL28996726 0.82 TSHR (0.42) KMT2ANPC1RAB9AHSD17B10ALDH1A1
SCHEMBL5641708 0.82 LIPE (0.43) KMT2ANPC1RAB9AHSD17B10ALDH1A1
SCHEMBL7904906 0.76 KMT2A (0.54) KMT2ANPC1RAB9AHSD17B10ALDH1A1
SCHEMBL7742741 0.76 TSHR (0.43) KMT2AALDH1A1HTTPOLBL3MBTL1
SCHEMBL3783385 0.76 TSHR (0.65) KMT2AALDH1A1POLBL3MBTL1MEN1
SCHEMBL1256530 0.75 KMT2A (0.53) KMT2ANPC1RAB9AHSD17B10ALDH1A1
SCHEMBL9767880 0.74 HTT (0.43) KMT2AALDH1A1HTTPOLBL3MBTL1
SCHEMBL24961905 0.71 SMN1; SMN2 (0.50) KMT2ARAB9AALDH1A1L3MBTL1KDM4E
SCHEMBL17266540 0.70 KMT2A (0.49) KMT2ANPC1RAB9AHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240181430-A1 POROUS SORPTIVE SOLID PHASE MICROEXTRACTION DEVICES AND PREPARATION THEREOF MEMORIAL UNIVERSITY OF NEWFOUNDLAND (CA) 2024-06-06 US claimed
EP-4294559-A1 POROUS SORPTIVE SOLID PHASE MICROEXTRACTION DEVICES AND PREPARATION THEREOF Memorial University of Newfoundland (CA) 2023-12-27 EP claimed
WO-2023168111-A1 SYSTEMS AND METHODS FOR ON-PERSON WEARABLE ELECTRONIC DEVICES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-09-07 WO claimed
US-20230277159-A1 SYSTEMS AND METHODS FOR ON-PERSON WEARABLE ELECTRONIC DEVICES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2023-09-07 US claimed
EP-3846691-A2 SYSTEM FOR DETECTION OF VOLATILE ORGANIC COMPOUNDS (VOC) IN EXHALED BREATH FOR HEALTH MONITORING Kozhnosys Private Limited (IN) 2021-07-14 EP claimed
WO-2021020630-A1 ZINC ION-IMPRINTED POLYMER AND PREPARATION METHOD THEREFOR 서울여자대학교 산학협력단 2021-02-04 WO claimed
US-10772822-B2 Molecularly imprinted polymers and their use as antidandruff agents L'OREAL (FR) 2020-09-15 US claimed
EP-2938641-B1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS ORÉAL L (FR) 2016-08-24 EP claimed
US-20150342859-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS L'OREAL (FR) 2015-12-03 US claimed
US-20150320667-A1 MOLECULARLY IMPRINTED POLYMER FOR SELECTIVELY TRAPPING ODOROUS MOLECULES L'OREAL (FR) 2015-11-12 US claimed
WO-2012028825-A1 ULTRA-THIN FILMS OF MOLECULARLY IMPRINTED POLYMERS CONFINED TO THE SURFACE OF A SUBSTRATE UNIVERSITE PARIS DIDEROT-PARIS 7 (FR) 2012-03-08 WO claimed
US-20240206762-A1 SYSTEM FOR DETECTION OF VOLATILE ORGANIC COMPOUNDS (VOC) IN EXHALED BREATH FOR HEALTH MONITORING KOZHNOSYS PRIVATE LIMITED (IN) 2024-06-27 US disclosed
US-20240181430-A1 POROUS SORPTIVE SOLID PHASE MICROEXTRACTION DEVICES AND PREPARATION THEREOF MEMORIAL UNIVERSITY OF NEWFOUNDLAND (CA) 2024-06-06 US disclosed
WO-2024080805-A1 COMPOSITE SOLID ELECTROLYTE AND MANUFACTURING METHOD THEREFOR 주식회사 엘지에너지솔루션 2024-04-18 WO disclosed
WO-2024080806-A1 POLYMER SOLID ELECTROLYTE AND PREPARATION METHOD FOR HYBRID SOLID ELECTROLYTE 주식회사 엘지에너지솔루션 2024-04-18 WO disclosed
WO-2010029504-A1 KIT USEFUL FOR DETECTING, SEPARATING AND/OR CHARACTERIZING A MOLECULE OF INTEREST POLYINTELL (FR) 2010-03-18 WO disclosed
US-20090123411-A1 Molecular Fingerprints With Enhanced Identifying Capability, Method for Preparing Same and Use Thereof POLYINTELL (FR) 2009-05-14 US disclosed
WO-2009056716-A1 MOLECULARLY IMPRINTED POLYMERS FOR THE RECOGNITION OF GLUTATHIONE GSH, METHODS FOR PREPARING SAME AND USES THEREOF POLYINTELL (FR) 2009-05-07 WO disclosed
EP-1910422-A2 MOLECULAR FINGERPRINTS WITH ENHANCED IDENTIFYING CAPABILITY, METHOD FOR PREPARING SAME AND USE THEREOF Polyintell (FR) 2008-04-16 EP disclosed
WO-2007004197-A2 MOLECULAR FINGERPRINTS WITH ENHANCED IDENTIFYING CAPABILITY, METHOD FOR PREPARING SAME AND USE THEREOF POLYINTELL (FR) 2007-01-11 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 (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-10772822-B2 Molecularly imprinted polymers and their use as antidandruff agents DNMT1, POLR1C, ETF1 KMT2A 1453/4885NPC1 2162/4885RAB9A 4757/4885
US-20150342859-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS DNMT1, POLR1C, ETF1 KMT2A 1453/4885NPC1 2162/4885RAB9A 4757/4885
US-20150320667-A1 MOLECULARLY IMPRINTED POLYMER FOR SELECTIVELY TRAPPING ODOROUS MOLECULES OR10J3, OR51E2, MSMO1 KMT2A 3975/4885NPC1 4241/4885RAB9A 3038/4885

“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.