SCHEMBL2076587

SCHEMBL2076587

O=C(NC1Cc2ccc(Br)cc2C1)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
PRMT5 O14744 1/20 0.49
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA14 Q9ULX7 3/20 0.49
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CHRM1 P11229 3/20 0.44
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CA9 Q16790 1/20 0.44
GRM5 P41594 1/20 0.43
KMT2A Q03164 2/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
CTSC P53634 1/20 0.43

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
SCHEMBL6512220 0.90 HDAC8 (0.53) NPC1RAB9APRMT5CA1CA2
SCHEMBL6518075 0.90 HDAC8 (0.53) NPC1RAB9APRMT5CA1CA2
SCHEMBL6512226 0.90 HDAC8 (0.53) NPC1RAB9APRMT5CA1CA2
SCHEMBL14304774 0.86 HDAC8 (0.50) NPC1RAB9APRMT5CA1CA2
SCHEMBL2078815 0.84 NPC1 (0.54) NPC1RAB9ACA12CA1CA2
SCHEMBL2077494 0.84 NPC1 (0.54) NPC1RAB9ACA12CA1CA2
SCHEMBL2079407 0.83 NPC1 (0.52) NPC1RAB9ACA12CA1CA2
SCHEMBL2075952 0.83 NPC1 (0.52) NPC1RAB9ACA12CA1CA2
SCHEMBL2078279 0.83 NPC1 (0.52) NPC1RAB9ACA12CA1CA2
SCHEMBL248645 0.82 NPC1 (0.61) NPC1RAB9AGRM5KMT2ACTSB

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 NPC1 633/4885RAB9A 2472/4885PRMT5 17/4885
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals EDNRA, VEGFA, EDNRB NPC1 355/4885RAB9A 2476/4885PRMT5 15/4885
US-20070082897-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS EDNRA, EDNRB, VEGFA NPC1 611/4885RAB9A 2497/4885PRMT5 19/4885

“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.