SCHEMBL85152

SCHEMBL85152

O=CC=Nc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
S100B P04271 1/20 0.41
LMNA P02545 2/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C19 P33261 3/20 0.38
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
CYP2D6 P10635 2/20 0.38
HTR3A P46098 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
SLC22A2 O15244 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
SCHEMBL13590027 0.87 S100B (0.50) MAPTATMNPSR1HSD17B10KDM4E
SCHEMBL9639722 0.85 S100B (0.55) MAPTATMNPSR1HSD17B10KDM4E
SCHEMBL7091916 0.76 ALDH1A1 (0.48) MAPTNPSR1KDM4ECA12CA2
SCHEMBL10153371 0.76 TSHR (0.38) MAPTHTR3EHTR3BHTR3AHTR3D
SCHEMBL14459252 0.76 KMT2A (0.58) MAPTHSD17B10HTR3EHTR3BHTR3A
SCHEMBL10153374 0.76 CYP2C9 (0.53) MAPTNPSR1KDM4ES100BCYP2C19
SCHEMBL7089228 0.75 KMT2A (0.44) MAPTNPSR1KDM4ECA12CA1
SCHEMBL19422210 0.74 S100B (0.39) MAPTHSD17B10S100BSMN1; SMN2HPGD
SCHEMBL13590033 0.74 ADRA2A (0.40) MAPTHSD17B10S100BLMNATDP1
SCHEMBL13590026 0.74 CYP3A4 (0.50) HSD17B10S100BCYP2D6SLC22A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174987-B2 Spiroindolinepiperidine derivatives SYNGENTA LIMITED (DE) 2015-11-03 US disclosed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-20120010220-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2012-01-12 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20070161619-A1 Pyrroloquinoline and piperidoquinoline derivatives, preparation thereof, compositions containing them and uses thereof ASTRAZENECA AB (SE) 2007-07-12 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 (5 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX MAPT 3896/4885ATM 1479/4885NPSR1 2546/4885
US-20120010220-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES RECQL, OPRD1, SKP1 MAPT 4751/4885ATM 1772/4885NPSR1 408/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB MAPT 2660/4885ATM 2985/4885NPSR1 1636/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 MAPT 2648/4885ATM 3686/4885NPSR1 2647/4885
US-20070161619-A1 Pyrroloquinoline and piperidoquinoline derivatives, preparation thereof, compositions containing them and uses thereof OPRL1, OPRD1, OPRK1 MAPT 3850/4885ATM 2928/4885NPSR1 13/4885

“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.