SCHEMBL1444015

SCHEMBL1444015

CC(C)NC(=O)c1[c]cccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MLYCD O95822 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NLRP3 Q96P20 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL9478955 0.87 KMT2A (0.36) KDM4ESMN1; SMN2CYP1A2ALDH1A1MEN1
SCHEMBL1903196 0.86 KMT2A (0.34) ALOX15TSHRCASP1KDM4ESMN1; SMN2
SCHEMBL16294271 0.84 LTA4H (0.47) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8125303 0.83 KMT2A (0.34) KDM4ESMN1; SMN2CYP1A2ALDH1A1MEN1
SCHEMBL8118163 0.81 ALDH1A1 (0.40) TSHRKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL28070090 0.80 EPHX2 (0.50) LMNATDP1
SCHEMBL8131986 0.80 ALDH1A1 (0.42) TSHRKDM4ESMN1; SMN2CYP1A2MAOB
SCHEMBL8119388 0.79 PGR (0.40) TSHRSMN1; SMN2CYP1A2ALDH1A1MEN1
SCHEMBL15527899 0.79 HPGD (0.34) TSHRKDM4ESMN1; SMN2CYP1A2ADORA3
SCHEMBL295086 0.79 GAA (0.42) TSHRKDM4ESMN1; SMN2ALDH1A1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1826106-A Therapeutic agent for skin pigmentation INST MED MOLECULAR DESIGN INC (JP) 2006-08-30 CN claimed
CN-1265033-A Certain diarylimidaozle derivatives, new class of NPY speific ligands NEUROGEN CORP (US) 2000-08-30 CN claimed
EP-0996443-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-05-03 EP claimed
WO-1999001128-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-14 WO claimed
EP-3962559-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES University of Houston System (US) 2022-03-09 EP disclosed
US-10849886-B2 Combination therapy using azabicyclo compound for cancer TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-01 US disclosed
WO-2020219963-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES UNIVERSITY OF HOUSTON SYSTEM (US) 2020-10-29 WO disclosed
US-20170216261-A1 COMBINATION THERAPY USING AZABICYCLO COMPOUND FOR CANCER TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-20140288127-A1 Novel Alkene Oxindole Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 US disclosed
US-8778973-B2 Alkene oxindole derivatives HOFFMANN-LAROCHE INC. (US) 2014-07-15 US disclosed
US-20130131114-A1 NOVEL ALKENE OXINDOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
CN-1104418-C Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2003-04-02 CN disclosed
US-6515133-B1 Certain diaryl imidazoles act as partial agonists or antagonists for NPY receptors, in particular NPY 5 receptors. They are of use, for example in treating loss of appetite. Such compounds bear aryl groups in the 2 position. NEUROGEN CORPORATION 2003-02-04 US disclosed
US-6121260-A Method of treating conditions susceptible to modulation of NPY receptors with diarylimidazole derivatives NEUROGEN CORPORATION (US) 2000-09-19 US disclosed
CN-1265033-A Certain diarylimidaozle derivatives, new class of NPY speific ligands NEUROGEN CORP (US) 2000-08-30 CN disclosed
EP-0996443-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-05-03 EP disclosed
WO-1999001128-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-14 WO disclosed
CN-1150799-A Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 1997-05-28 CN disclosed
US-4202814-A AZO DYES GIVING FAST RED COLOR CIBA-GEIGY CORPORATION (US) 1980-05-13 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 (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-20170216261-A1 COMBINATION THERAPY USING AZABICYCLO COMPOUND FOR CANCER HSP90AB1, HSP90AA1, HSP90AB2P ALOX15 3137/4885TSHR 3916/4885CASP1 1707/4885
US-10849886-B2 Combination therapy using azabicyclo compound for cancer HSP90AB1, HSP90AA1, HSP90AB2P ALOX15 3137/4885TSHR 3916/4885CASP1 1707/4885
US-20140288127-A1 Novel Alkene Oxindole Derivatives PRKAB1, PRKAR2A, PRKAB2 ALOX15 2014/4885TSHR 1361/4885CASP1 2228/4885
US-20130131114-A1 NOVEL ALKENE OXINDOLE DERIVATIVES PRKAB1, PRKAR2A, PRKAB2 ALOX15 2014/4885TSHR 1361/4885CASP1 2228/4885

“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.