SCHEMBL4089391

SCHEMBL4089391

CCC(C)c1ccc(NC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 6/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 2/20 0.46
RAB9A P51151 8/20 0.45
NPC1 O15118 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
KMT2A Q03164 4/20 0.44
TP53 P04637 3/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL22338023 1.00 TSHR (0.53) TSHRNPSR1ALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL2858362 0.98 TSHR (0.51) TSHRNPSR1ALDH1A1MAPTGAA
SCHEMBL598140 0.83 ALDH1A1 (0.52) TSHRNPSR1ALDH1A1MAPTGAA
SCHEMBL3285649 0.80 TSHR (0.51) TSHRNPSR1ALDH1A1MAPTGAA
SCHEMBL20801207 0.80 TAAR1 (0.61) TSHRNPSR1ALDH1A1MAPTCYP2C9
SCHEMBL12624361 0.80 TSHR (0.51) TSHRNPSR1ALDH1A1MAPTGAA
SCHEMBL14216272 0.80 ALDH1A1 (0.52) TSHRNPSR1ALDH1A1MAPTGAA
SCHEMBL9320301 0.79 TSHR (0.46) TSHRALDH1A1MAPTCYP2C9SMN1; SMN2
SCHEMBL12381745 0.79 HDAC8 (0.47) TSHRNPSR1ALDH1A1MAPTCYP2C9
SCHEMBL12071838 0.78 ALDH1A1 (0.75) TSHRNPSR1ALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528911-B1 COMPOSITIONS AND METHODS FOR ENHANCING PROTEASOME ACTIVITY HARVARD COLLEGE (US) 2017-10-25 EP disclosed
US-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK 2017-06-22 US disclosed
US-20150291517-A1 BENZENESULFONAMIDE COMPOUNDS FOR SOMATIC EMBRYOGENESIS IN PLANTS STICHTING DIENST LANDBOUWKUNDIG ONDERZOEK (NL) 2015-10-15 US disclosed
CN-102791750-B Ethylene-alpha-olefin copolymer and molded article SUMITOMO CHEMICAL CO.,LTD. (JP) 2014-10-29 CN disclosed
CN-103391950-A Ethylene-alfa-olefin copolymer and molded article SUMITOMO CHEMICAL CO 2013-11-13 CN disclosed
CN-102791750-A Ethylene-alpha-olefin copolymer and molded article SUMITOMO CHEMICAL CO 2012-11-21 CN disclosed
CN-101341176-B Ethylene polymer, catalyst for producing ethylene polymer, and method for producing ethylene polymer TOSOH CORP 2011-08-17 CN disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
WO-2009104785-A1 CATALYST COMPONENT FOR POLYMERIZATION OF ETHYLENE AND PROCESS FOR PRODUCING ETHYLENE POLYMER (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-27 WO disclosed
EP-0942006-B1 Catalyst for olefin polymer production and process for olefin polymer production employing the catalyst TOSOH CORP (JP) 2003-06-04 EP disclosed
EP-0849292-B1 Olefin polymerisation catalysts and processes for producing olefin polymers TOSOH CORP (JP) 2002-08-21 EP disclosed
US-6372681-B1 METALLOCENE OF TRANSITION METAL AND; METAL OXIDE, SULFIDE, PHOSPHIDE, CARBIDE, NITRIDE, AND/OR SELENIDE; ORGANOALKALINE EARTH OR ZINC COMPOUND; AND ORGANOALUMINUM COMPOUND TOSOH CORPORATION (JP) 2002-04-16 US disclosed
US-6288123-B1 CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCES, INC. 2001-09-11 US disclosed
US-6174924-B1 Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. 2001-01-16 US disclosed
US-6143791-A NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-07 US disclosed
US-6110858-A AN OLEFIN POLYMERIZATION CATALYST CONSISTS OF A TRANSITION METAL COMPOUND, A MODIFIED CLAY COMPOUND CONTAINING CLAY MINERAL AND AN AMINE COMPOUND AND AN ORGANOALUMINUM COMPOUND TOSOH CORPORATION (JP) 2000-08-29 US disclosed
EP-0942006-A2 Catalyst for olefin polymer production and process for olefin polymer production employing the catalyst TOSOH CORPORATION (JP) 1999-09-15 EP disclosed
EP-0849292-A1 Olefin polymerisation catalysts and processes for producing olefin polymers TOSOH CORPORATION (JP) 1998-06-24 EP disclosed
WO-1995020950-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-08-10 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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R TSHR 153/4885NPSR1 18/4885ALDH1A1 3735/4885
US-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B TSHR 4872/4885NPSR1 4719/4885ALDH1A1 635/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R TSHR 92/4885NPSR1 11/4885ALDH1A1 4013/4885
US-20150291517-A1 BENZENESULFONAMIDE COMPOUNDS FOR SOMATIC EMBRYOGENESIS IN PLANTS KCNJ2, HCN2, HACL2 TSHR 2224/4885NPSR1 2987/4885ALDH1A1 2299/4885

“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.