SCHEMBL137872

SCHEMBL137872

N#CCC(=O)c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
LMNA P02545 4/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
POLB P06746 3/20 0.62
GSK3B P49841 1/20 0.58
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
DAO P14920 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL9329501 0.82 ALDH1A1 (0.64) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL21758874 0.81 ALDH1A1 (0.69) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL27846083 0.78 KMT2A (0.44) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL2216212 0.77 ALDH1A1 (1.00) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL711360 0.77 RAB9A (0.75) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL3414708 0.77 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL23855456 0.75
SCHEMBL22733861 0.74 ALDH1A1 (0.40) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL3237221 0.74
SCHEMBL22721189 0.74 ALDH1A1 (0.83) ALDH1A1LMNAMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358343-B1 METHOD FOR DECOLOURING KERATINOUS FIBRES HENKEL AG & CO KGAA (DE) 2016-10-19 EP claimed
CN-102643879-B Method for preparing duloxetine chiral intermediate through microbial conversion ZHEJIANG JIUZHOU PHARM CO LTD 2015-02-11 CN claimed
EP-1965753-B1 REVERSIBLY CHANGEABLE HAIR COLOR HENKEL AG & CO KGAA (DE) 2013-09-04 EP claimed
CN-102643879-A Method for preparing duloxetine chiral intermediate through microbial conversion ZHEJIANG JIUZHOU PHARM CO LTD 2012-08-22 CN claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
CN-102199637-A Method for preparing (S)-3-hydroxyl-3-(2-thienyl)-propionitrile by microbial transformation UNIV ZHEJIANG TECHNOLOGY 2011-09-28 CN claimed
EP-2358343-A2 METHOD FOR DECOLOURING KERATINOUS FIBRES Henkel AG & Co. KGaA (DE) 2011-08-24 EP claimed
WO-2010072512-A2 METHOD FOR DECOLOURING KERATINOUS FIBRES HENKEL AG & CO. KGAA (DE) 2010-07-01 WO claimed
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2010-02-18 US claimed
EP-2014275-A2 Kit for preparing storage-stable formulations Henkel AG & Co. KGaA (DE) 2009-01-14 EP claimed
WO-2007073922-A1 REVERSIBLY CHANGEABLE HAIR COLOR HENKEL AG & CO. KGAA (DE) 2007-07-05 WO claimed
EP-1778176-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-05-02 EP claimed
WO-2005120445-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 WO claimed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 CN claimed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 EP claimed
US-4716237-A Process for the production of 3-oxonitriles DEGUSSA AKTIENGESELLSCHAFT (DE) 1987-12-29 US claimed
US-4390545-A FENBUFEN AND B-OXO (OR) IMINO THIOPHENEPROPIONITRILES AMERICAN CYANAMID COMPANY (US) 1983-06-28 US claimed
US-4189497-A B-OXO-2-THIOPHENEPROPIONITRILE AMERICAN CYANAMID COMPANY (US) 1980-02-19 US claimed

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-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR ALDH1A1 195/4885LMNA 2210/4885MEN1 4409/4885
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS KRT18, H1-10, COL1A1 ALDH1A1 77/4885LMNA 1020/4885MEN1 3588/4885

“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.