SCHEMBL2076586

SCHEMBL2076586

O=C(NC1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.51
POLB P06746 1/20 0.49
MCL1 Q07820 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA14 Q9ULX7 2/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
MMP8 P22894 4/20 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
SCHEMBL2077494 0.80 NPC1 (0.54) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL2078815 0.80 NPC1 (0.54) POLBNPC1RAB9ACA12CA1
SCHEMBL8370641 0.80 PNMT (0.49)
SCHEMBL8007118 0.80 L3MBTL1 (0.54) WDR5NPC1RAB9ACA12CA1
SCHEMBL2079407 0.79 NPC1 (0.52) POLBNPC1RAB9ASMN1; SMN2CA12
SCHEMBL2076587 0.79 NPC1 (0.52) POLBNPC1RAB9ASMN1; SMN2CA12
SCHEMBL2078279 0.79 NPC1 (0.52) NPC1RAB9ACA12CA1CA2
SCHEMBL2075952 0.79 NPC1 (0.52) POLBNPC1RAB9ASMN1; SMN2CA12
SCHEMBL10525127 0.79 CHRM1 (0.52) WDR5POLBMCL1NPC1RAB9A
SCHEMBL3803914 0.79 CA1 (0.59) CA12CA1CA2CA7CA14

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 10 patents. 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 disclosed
US-20100183712-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-22 US disclosed
US-7713963-B2 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-11 US disclosed
US-20070082897-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-12 US disclosed
US-7179839-B2 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-02-20 US disclosed
CN-1259307-C Acylated indanyl amines and their use as pharmaceuticals AVENTIS PHARMA GMBH (DE) 2006-06-14 CN disclosed
CN-1491207-A Acylated indanyl amines and their use as pharmaceuticals ������ҽҩ�¹����޹�˾ 2004-04-21 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 WDR5 4177/4885POLB 2961/4885MCL1 1409/4885
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals EDNRA, VEGFA, EDNRB WDR5 4432/4885POLB 2919/4885MCL1 887/4885
US-20070082897-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS EDNRA, EDNRB, VEGFA WDR5 4208/4885POLB 2932/4885MCL1 1306/4885

“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.