SCHEMBL170394

SCHEMBL170394

CNCCC(=O)c1cccs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
LMNA P02545 5/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
POLB P06746 1/20 0.69
GSK3B P49841 1/20 0.59
HPGD P15428 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CTNNB1 P35222 4/20 0.55
WNT3A P56704 3/20 0.55
HDAC1 Q13547 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
ERCC5 P28715 1/20 0.54

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
Hydrochloric Acid SCHEMBL992300 0.98 ALDH1A1 (0.67) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL4132169 0.94 ALDH1A1 (0.61) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL4120551 0.84 ALDH1A1 (0.53) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL16419608 0.83 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL14152319 0.83 CTNNB1 (0.53) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL2216212 0.82 ALDH1A1 (1.00) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL15974627 0.81 ALDH1A1 (0.62) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL352556 0.81 ALDH1A1 (0.72) ALDH1A1LMNAMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL15974201 0.80 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL3177576 0.79 LMNA (0.77) 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 246 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12365927-B2 Engineered ketoreductase polypeptides CODEXIS, INC. (US) 2025-07-22 US claimed
CN-119842647-A Dehydrogenase mutant for synthesizing duloxetine intermediate and application thereof 苏州诺恩斯生物科技有限公司 2025-04-18 CN claimed
US-20230104779-A1 ENGINEERED KETOREDUCTASE POLYPEPTIDES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2023-04-06 US claimed
US-11512332-B2 Engineered ketoreductase polypeptides CODEXIS, INC. (US) 2022-11-29 US claimed
US-20200340025-A1 ENGINEERED KETOREDUCTASE POLYPEPTIDES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2020-10-29 US claimed
US-10752926-B2 Engineered ketoreductase polypeptides CODEXIS, INC. (US) 2020-08-25 US claimed
US-20180251802-A1 ENGINEERED KETOREDUCTASE POLYPEPTIDES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2018-09-06 US claimed
US-10006069-B2 Engineered ketoreductase polypeptides CODEXIS, INC. (US) 2018-06-26 US claimed
US-20170226546-A1 ENGINEERED KETOREDUCTASE POLYPEPTIDES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2017-08-10 US claimed
US-9657320-B2 Engineered ketoreductase polypeptides CODEXIS, INC. (US) 2017-05-23 US claimed
US-7579484-B2 Preparation of 3-methylamino-1-phenyl-1-propanone or 3-methylamino-1-(2-thienyl)-1-propanone; chemical intermediates to central nervous system drugs such as fluoxetine, tomoxetine MERCK PATENT GMBH (DE) 2009-08-25 US claimed
EP-1587802-B1 PRODUCTION AND USE OF 3-METHYLAMINO-1-(2-THIENYL)-1-PROPANONE BASF AG (DE) 2007-11-14 EP claimed
US-7259264-B2 3-methylamino-1-(2-thienyl)-1-propanone, production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2007-08-21 US claimed
US-20060128791-A1 3-Methylamino-1-(2-thienyl)-1-propanone, production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2006-06-15 US claimed
US-20060122405-A1 Method for the production of monoalkylamino ketones MERCK PATENT GMBH (DE) 2006-06-08 US claimed
US-6984738-B2 Process for production of optically active amino alcohols YOKOZAWA TOHRU 2006-01-10 US claimed
EP-1587802-A1 3-METHYLAMINO-1-(2-THIENYL)-1-PROPANONE, PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2005-10-26 EP claimed
EP-1532101-A1 METHOD FOR THE PRODUCTION OF MONOALKYLAMINO KETONES MERCK PATENT GmbH (DE) 2005-05-25 EP claimed
WO-2004065376-A1 3-METHYLAMINO-1-(2-THIENYL)-1-PROPANONE, PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2004-08-05 WO claimed
WO-2004020391-A1 METHOD FOR THE PRODUCTION OF MONOALKYLAMINO KETONES MERCK PATENT GMBH (DE) 2004-03-11 WO 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 (1 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-20060122405-A1 Method for the production of monoalkylamino ketones BCKDK, AKR7A2, AKR1C3 ALDH1A1 66/4885LMNA 2694/4885MEN1 1555/4885

“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.