SCHEMBL478665

SCHEMBL478665

CC(=O)N1CCCC(C)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
POLB P06746 3/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
RECQL P46063 1/20 0.53
HPGD P15428 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GRM5 P41594 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
SCHEMBL4309663 1.00 ALDH1A1 (0.61) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL12136815 1.00 ALDH1A1 (0.61) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL14543695 0.94 ALDH1A1 (0.55) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL19240727 0.94 ALDH1A1 (0.55) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL22624346 0.92 ALDH1A1 (0.53) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL19426075 0.87 CYP1A2 (0.55) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL478542 0.86
SCHEMBL14818634 0.86 ALDH1A1 (0.50) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL12142184 0.86
SCHEMBL19102936 0.86 ALDH1A1 (0.50) ALDH1A1LMNAPOLBMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US claimed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP claimed
US-7939548-B2 Aminopyridines, e.g.,N-{[6-(aminomethyl)(2-pyridyl)]methyl}(2-{[2-(3-fluorophenyl)ethyl]amino}-5-(3-pyridyl)(3-pyridyl))carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US claimed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US claimed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US claimed
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP claimed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 WO claimed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US claimed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
US-6099907-A MIXING A SOLVENT FOR POLYANILINE WITH A SECONDARY AMINE; GELATION INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-08-08 US claimed
EP-1008148-A1 STABLE, CONCENTRATED SOLUTIONS OF HIGH MOLECULAR WEIGHT POLYANILINE AND ARTICLES THEREFROM The Regents of The University of California (US) 2000-06-14 EP claimed
US-5981695-A MIXING SOLVENT FOR POLYANILINE WITH SECONDARY AMINE SUCH THAT THE MOLAR RATIO OF SECONDARY AMINE TO POLYANILINE TETRAMER REPEAT UNIT IS BETWEEN 0.1 AND 5.0, FORMING THEREBY A SOLUTION; DISSOLVING THE POLYANILINE IN THE SOLUTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-11-09 US claimed
WO-1997045842-A1 STABLE, CONCENTRATED SOLUTIONS OF HIGH MOLECULAR WEIGHT POLYANILINE AND ARTICLES THEREFROM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-12-04 WO claimed
US-5665504-A Simulated photographic-quality prints using a plasticizer to reduce curl XEROX CORPORATION (US) 1997-09-09 US claimed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 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 (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-20080139575-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 ALDH1A1 1756/4885LMNA 242/4885POLB 2598/4885
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 ALDH1A1 2830/4885LMNA 605/4885POLB 4216/4885
US-20080132545-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 ALDH1A1 1756/4885LMNA 242/4885POLB 2598/4885
US-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 ALDH1A1 1756/4885LMNA 242/4885POLB 2598/4885

“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.