SCHEMBL1002785

SCHEMBL1002785

CCCCN(C)C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.56
GAA P10253 2/20 0.55
HPGD P15428 2/20 0.55
CYP1A2 P05177 1/20 0.52
TSHR P16473 1/20 0.52
HDAC6 Q9UBN7 6/20 0.52
HDAC1 Q13547 2/20 0.51
PDK2 Q15119 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48
LTB4R2 Q9NPC1 1/20 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
SCHEMBL6013406 0.95 HDAC6 (0.55) NAMPTGAAHPGDCYP1A2TSHR
SCHEMBL7517981 0.93 HDAC6 (0.57) NAMPTGAAHPGDHDAC6HDAC1
SCHEMBL5178440 0.93 HDAC6 (0.57) NAMPTGAAHPGDHDAC6HDAC1
Hydrochloric Acid SCHEMBL524680 0.91 HDAC6 (0.56) NAMPTGAAHPGDHDAC6HDAC1
Hydrochloric Acid SCHEMBL7557310 0.91 HDAC6 (0.56) NAMPTGAAHPGDHDAC6HDAC1
SCHEMBL1006489 0.89 NAMPT (0.54) NAMPTGAAHPGDHDAC6HDAC1
SCHEMBL11210960 0.89 HDAC6 (0.59) HDAC6HDAC1CDK4CCND1MEN1
SCHEMBL8641718 0.89 HDAC6 (0.59) HDAC6HDAC1CDK4CCND1MEN1
SCHEMBL11210779 0.86 KMT2A (0.56) HPGDHDAC6HDAC1ALDH1A1CDK4
SCHEMBL16151551 0.86 ACACB (0.51) NAMPTGAAHPGDCYP1A2TSHR

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5212261-A LATENT, HEAT-CURABLE EPOXY RESIN COMPOSITIONS CONTAINING METAL CARBOXYLATE CURING SYSTEMS HENKEL RESEARCH CORPORATION (US) 1993-05-18 US claimed
WO-1992011307-A1 LATENT, HEAT-CURABLE EPOXY RESIN COMPOSITIONS CONTAINING METAL CARBOXYLATE CURING SYSTEMS HENKEL RESEARCH CORPORATION (US) 1992-07-09 WO claimed
EP-3332645-A1 USE OF SUBSTITUTED PYRIMIDINE DIONES OR THEIR SALTS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS Bayer Cropscience AG (DE) 2018-06-13 EP disclosed
WO-2015116806-A1 PRO-SUBSTRATES FOR LIVE CELL APPLICATIONS PROMEGA CORPORATION (US) 2015-08-06 WO disclosed
WO-2015046618-A1 DYE COMPOUND, INK, AND RESIST COMPOSITION FOR COLOR FILTER CANON KABUSHIKI KAISHA (JP) 2015-04-02 WO disclosed
US-8816070-B2 Triazole derivative as an HSP 90 inhibitor MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 US disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 US disclosed
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 WO disclosed
US-20100113542-A1 TRIAZOLE DERIVATIVE AS AN HSP 90 INHIBITOR MERCK PATENT GESELLSCHAFT (DE) 2010-05-06 US disclosed
EP-1521746-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2005-04-13 EP disclosed
WO-2003076418-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-09-18 WO disclosed
US-20020055638-A1 Process for the preparation of carboxamides by oxidation of aldehydes in the presence of amines DEGUSSA AG (DE) 2002-05-09 US disclosed
EP-1179525-A1 Process for the preparation of carboxylic acid amides by oxidation of aldehydes in the presence of amines Degussa Aktiengesellschaft (DE) 2002-02-13 EP disclosed
EP-0555331-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1993-08-18 EP disclosed
US-5212261-A LATENT, HEAT-CURABLE EPOXY RESIN COMPOSITIONS CONTAINING METAL CARBOXYLATE CURING SYSTEMS HENKEL RESEARCH CORPORATION (US) 1993-05-18 US disclosed
WO-1992011307-A1 LATENT, HEAT-CURABLE EPOXY RESIN COMPOSITIONS CONTAINING METAL CARBOXYLATE CURING SYSTEMS HENKEL RESEARCH CORPORATION (US) 1992-07-09 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 (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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B NAMPT 3267/4885GAA 4868/4885HPGD 3260/4885
US-20020055638-A1 Process for the preparation of carboxamides by oxidation of aldehydes in the presence of amines CBR1, CBR3, TECR NAMPT 1341/4885GAA 2587/4885HPGD 2467/4885
US-20100113542-A1 TRIAZOLE DERIVATIVE AS AN HSP 90 INHIBITOR HSP90AB1, HSP90AB2P, HSP90AA1 NAMPT 1529/4885GAA 1163/4885HPGD 959/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B NAMPT 3267/4885GAA 4868/4885HPGD 3260/4885

“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.