SCHEMBL10162702

SCHEMBL10162702

CCC#Cc1cnc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
CYP1A2 P05177 1/20 0.49
ACACB O00763 1/20 0.47
PDGFRB P09619 3/20 0.44
PDGFRA P16234 3/20 0.44
PIK3CA P42336 3/20 0.42
MTOR P42345 2/20 0.42
RAB9A P51151 3/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MGAM O43451 1/20 0.40
TLR8 Q9NR97 1/20 0.40
PIK3CD O00329 1/20 0.40
KMT2A Q03164 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL12603967 0.84 ALDH1A1 (0.64) ALDH1A1CYP1A2ACACBRAB9ATLR8
SCHEMBL23781564 0.83 ALDH1A1 (0.71) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL372200 0.83 ALDH1A1 (1.00) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL14294117 0.83 ALDH1A1 (0.62) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL10130641 0.83 ALDH1A1 (0.66) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL14453818 0.81 ALDH1A1 (0.64) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL7214768 0.81 ALDH1A1 (0.63) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL8907669 0.81 ALDH1A1 (0.77) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL6881031 0.80 ALDH1A1 (0.66) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA
SCHEMBL7544088 0.80 ALDH1A1 (0.57) ALDH1A1CYP1A2ACACBPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108276319-B A kind of thio-compounds and its application 广州同隽医药科技有限公司 2019-11-12 CN disclosed
CN-108546242-B A kind of dithiocarbamates compound and its application 广州同隽医药科技有限公司 2019-11-12 CN disclosed
CN-108546242-A A kind of dithiocarbamates compound and its application 广州同隽医药科技有限公司 2018-09-18 CN disclosed
CN-108276319-A A kind of novel thio-compounds and its application 广州同隽医药科技有限公司 2018-07-13 CN disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
CN-102504014-A Peptidomimetic protease inhibitors LILLY CO ELI 2012-06-20 CN disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
CN-101437828-A MGLUR1 antagonists as therapeutic agents SCHERING CORP (US) 2009-05-20 CN disclosed
CN-101309925-A Fused tetracyclic mglur1 antagonists as therapeutic agents SCHERING CORP (US) 2008-11-19 CN disclosed
CN-101291937-A Fused tricyclic mgiur1 antagonists as therapeutic agents SCHERING CORP (US) 2008-10-22 CN disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 US disclosed
WO-2008061189-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2008-05-22 WO disclosed
WO-2008014221-A2 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2008-01-31 WO disclosed
CN-101061097-A Novel gamma secretase inhibitors SCHERING CORP (US) 2007-10-24 CN disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-7247617-B2 Sixteen-member macrolide antiinfective agents KOSAN BIOSCIENCES INCORPORATED (US) 2007-07-24 US disclosed
CN-101001862-A Tricyclic compounds and their use as MGLUR1 antagonists SCHERING CORP (US) 2007-07-18 CN disclosed
CN-1950358-A Novel gamma secretase inhibitors SCHERING CORP (US) 2007-04-18 CN disclosed
CN-1820010-A Bridged n-arylsulfonylpiperidines as gamma-secretase inhibitors SCHERING CORP (US) 2006-08-16 CN 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885CYP1A2 104/4885ACACB 428/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885CYP1A2 104/4885ACACB 428/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885CYP1A2 104/4885ACACB 428/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 ALDH1A1 353/4885CYP1A2 38/4885ACACB 1676/4885

“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.