SCHEMBL13612901

SCHEMBL13612901

Cc1ccc2c(c1)Cc1cc(NC(=O)OC(C)(C)C)ccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.48
ADRA2A P08913 1/20 0.48
MAOA P21397 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR2B P41595 1/20 0.48
MAPT P10636 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.44
APOB P04114 1/20 0.44
MTTP P55157 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
SCHEMBL1114945 0.93 RAB9A (0.56) RAB9AKMT2ACYP1A2ADRA2AMAOA
SCHEMBL3005279 0.86 CYP1A2 (0.66) RAB9AKMT2ACYP1A2ADRA2AMAOA
SCHEMBL3978167 0.85 RAB9A (0.52) RAB9AKMT2ACYP1A2ADRA2AMAOA
SCHEMBL3977427 0.84 RAB9A (0.48) RAB9AKMT2ACYP1A2ADRA2AMAOA
SCHEMBL3978151 0.83 RAB9A (0.67) RAB9AKMT2ACYP1A2ADRA2AMAOA
SCHEMBL3979949 0.82 RAB9A (0.52) RAB9AKMT2ACYP1A2ADRA2AMAOA
SCHEMBL4984937 0.80 RAB9A (0.50) RAB9AKMT2ACYP1A2ADRA2AMAOA
SCHEMBL30476642 0.80 NPC1 (0.53) RAB9AMAPTCA12CA1CA9
SCHEMBL19996133 0.80 NPC1 (0.53) RAB9AMAPTCA12CA1CA9
SCHEMBL30875475 0.79 CA12 (0.49) RAB9AMAPTCA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150030540-A1 Imaging agents for detecting neurological dysfunction LILLY CO ELI (US) 2015-01-29 US disclosed
US-8932557-B2 Imaging agents for detecting neurological dysfunction ELI LILLY AND COMPANY (US) 2015-01-13 US disclosed
US-20120302755-A1 Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-29 US disclosed
US-8318132-B2 Imaging agents for detecting neurological dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-27 US disclosed
US-20110091382-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION SIEMENS MEDICAL SOLUTION USA, INC. 2011-04-21 US disclosed
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-02-24 US disclosed
US-20090275596-A1 Treatment of Neurodegenerative Disorders with Thiourea Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 US disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 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 (7 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-20090275596-A1 Treatment of Neurodegenerative Disorders with Thiourea Compounds CLN6, MSR1, TPMT RAB9A 1969/4885KMT2A 3288/4885CYP1A2 2864/4885
US-20080096875-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, ETV6 RAB9A 2434/4885KMT2A 1846/4885CYP1A2 555/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 RAB9A 2430/4885KMT2A 2203/4885CYP1A2 556/4885
US-20110091382-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION FABP7, TSPO, SLC18A3 RAB9A 1688/4885KMT2A 4591/4885CYP1A2 1294/4885
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction FABP7, SLC18A3, TSPO RAB9A 1606/4885KMT2A 4605/4885CYP1A2 1483/4885
US-20150030540-A1 Imaging agents for detecting neurological dysfunction SLC18A3, TSPO, CHAT RAB9A 1424/4885KMT2A 4515/4885CYP1A2 2224/4885
US-20120302755-A1 Imaging Agents for Detecting Neurological Dysfunction SLC18A3, TSPO, CHAT RAB9A 1424/4885KMT2A 4515/4885CYP1A2 2224/4885

“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.