SCHEMBL2076593

SCHEMBL2076593

CC(C)(C)C(=O)Nc1c[c]ccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.45
KDM4E B2RXH2 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LCK P06239 1/20 0.43
CTSL P07711 1/20 0.43
PTPRC P08575 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
CTSS P25774 1/20 0.43
PTPN13 Q12923 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL6655436 0.88 PDK1 (0.44) L3MBTL1NPSR1ALDH1A1PDK1PDK2
SCHEMBL1418850 0.86 L3MBTL1 (0.40) L3MBTL1NPSR1MAPTALDH1A1LMNA
SCHEMBL2260731 0.82 L3MBTL1 (0.51) L3MBTL1MAPTCA12CA1CA2
SCHEMBL50031 0.79 HSD17B10 (0.57) L3MBTL1MAPTALDH1A1KDM4ECA12
SCHEMBL4628897 0.79 L3MBTL1 (0.63) L3MBTL1NPSR1MAPTALDH1A1LMNA
SCHEMBL54917 0.79 L3MBTL1 (0.75) L3MBTL1NPSR1MAPTALDH1A1LMNA
SCHEMBL359513 0.78 NAMPT (0.46) CA12CA1CA2CA9
SCHEMBL11088061 0.78 RAB9A (0.58) NPSR1MAPTALDH1A1LMNAKDM4E
SCHEMBL2531539 0.77 EPHX2 (0.41) MAPTPTPN1NPC1RAB9ASMN1; SMN2
SCHEMBL83110 0.77 L3MBTL1 (0.78) L3MBTL1NPSR1MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163751-B2 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-04-24 US claimed
US-20110294853-A1 Bis Aromatic Compounds for Use in the Treatment of Inflammation BIOLIPOX AB (SE) 2011-12-01 US claimed
US-20100183712-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-22 US claimed
WO-2010029300-A1 BIS AROMATIC COMPOUNDS FOR USE IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-03-18 WO claimed
US-20070082897-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-12 US claimed
EP-1373191-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP claimed
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-03-20 US claimed
WO-2002064545-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO claimed
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8163751-B2 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-04-24 US disclosed
US-20110294853-A1 Bis Aromatic Compounds for Use in the Treatment of Inflammation BIOLIPOX AB (SE) 2011-12-01 US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 US disclosed
EP-1534277-B1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-14 EP disclosed
EP-1373191-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP disclosed
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-03-20 US disclosed
WO-2002064545-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO disclosed
EP-0192111-B1 ISO-UREAS, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1990-05-16 EP disclosed
US-4692187-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
EP-0192111-A1 Iso-ureas, processes for their production and their use as herbicides BASF Aktiengesellschaft (DE) 1986-08-27 EP 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-20100183712-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS EDNRA, EDNRB, VEGFA L3MBTL1 782/4885NPSR1 734/4885MAPT 4083/4885
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals EDNRA, VEGFA, EDNRB L3MBTL1 964/4885NPSR1 1152/4885MAPT 3937/4885
US-20110294853-A1 Bis Aromatic Compounds for Use in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R L3MBTL1 569/4885NPSR1 152/4885MAPT 3484/4885
US-20070082897-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS EDNRA, EDNRB, VEGFA L3MBTL1 791/4885NPSR1 793/4885MAPT 4001/4885

“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.