SCHEMBL838030

SCHEMBL838030

[C-]#[N+]c1ccc(C(C)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
HPGD P15428 4/20 0.48
RAB9A P51151 4/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
HSD17B1 P14061 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
STS P08842 1/20 0.44

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
SCHEMBL11942624 0.82 CES2 (0.52) MAPTRAB9AHDAC3HDAC4HDAC1
SCHEMBL11790422 0.80 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL50646 0.79 MAPT (0.68) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL8141436 0.78 TSHR (0.60) SMN1; SMN2ALDH1A1
SCHEMBL9609538 0.77 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL799536 0.76 ALDH1A1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1106586 0.76 PARP10 (0.48) MAPTLMNAL3MBTL1KMT2AHDAC3
SCHEMBL5371696 0.76 MAPT (0.48) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL13134721 0.76 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12385665 0.76 KDM4E (0.47) LMNAKMT2ASMN1; SMN2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290341-B Urea compound with anti-tumor activity, preparation method and application 国王医学科技(山东)有限公司 2024-10-18 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20170273983-A1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-09-28 US disclosed
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 US disclosed
US-9468919-B2 Ruthenium-diamine complexes and method for producing optically active compounds TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-10-18 US disclosed
US-9403753-B2 Dual site catalyst for mild, selective nitrile reduction UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-08-02 US disclosed
US-20160145193-A1 DUAL SITE CATALYST FOR MILD, SELECTIVE NITRILE REDUCTION NATIONAL SCIENCE FOUNDATION 2016-05-26 US disclosed
US-9321045-B2 Catalyst and process for synthesising the same THE UNIVERSITY OF WARWICK (GB) 2016-04-26 US disclosed
US-20160067696-A1 RUTHENIUM-DIAMINE COMPLEXES AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS TAKASAGO PERFUMERY CO LTD (JP) 2016-03-10 US disclosed
US-20090021673-A1 Liquid Crystal Display Device FUJIFILM CORPORATION (JP) 2009-01-22 US disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
US-20080139847-A1 METHODS OF PREPARING TERTIARY CARBINAMINE COMPOUNDS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-06-12 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-20070290168-A1 Resin film, production method thereof, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2007-12-20 US disclosed
US-20070286998-A1 Method of producing transparent thermoplastic film and transparent thermoplastic film FUJIFILM CORPORATION (JP) 2007-12-13 US disclosed
US-20070281112-A1 Thermoplastic film and method of producing the same, polarizing plate, optical compensation film, antireflection film and liquid-crystal display device FUJIFILM CORPORATION (JP) 2007-12-06 US disclosed
US-20070275183-A1 Transparent thermoplastic film and a method of producing the same FUJIFILM CORPORATION (JP) 2007-11-29 US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 US disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 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 (8 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-20080139847-A1 METHODS OF PREPARING TERTIARY CARBINAMINE COMPOUNDS INMT, CROCC, GNMT MAPT 3624/4885HPGD 3312/4885RAB9A 1851/4885
US-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR MAPT 4330/4885HPGD 4250/4885RAB9A 1573/4885
US-20160145193-A1 DUAL SITE CATALYST FOR MILD, SELECTIVE NITRILE REDUCTION KMO, FES, TDO2 MAPT 4511/4885HPGD 3840/4885RAB9A 2901/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 MAPT 448/4885HPGD 247/4885RAB9A 2062/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 MAPT 2830/4885HPGD 333/4885RAB9A 1612/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B MAPT 4875/4885HPGD 3099/4885RAB9A 2054/4885
US-20160067696-A1 RUTHENIUM-DIAMINE COMPLEXES AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS ADH1A, ADH1C, ADH5 MAPT 4416/4885HPGD 2174/4885RAB9A 426/4885
US-20170273983-A1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST TLR7, TLR9, TLR1 MAPT 2457/4885HPGD 3003/4885RAB9A 1111/4885

“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.