SCHEMBL2076255

SCHEMBL2076255

O=C(NC1Cc2ccccc2C1)c1ccc(Br)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
HPGD P15428 2/20 0.66
TDP1 Q9NUW8 3/20 0.57
POLB P06746 3/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ESR1 P03372 1/20 0.49
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.46
PYGL P06737 2/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ACKR3 P25106 1/20 0.44
MEN1 O00255 1/20 0.44
NFKB1 P19838 1/20 0.44
CASP3 P42574 1/20 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
SCHEMBL12564971 0.82 HPGD (0.87) ALDH1A1HPGDTDP1POLBGAA
SCHEMBL2079461 0.82 NPC1 (0.62) TDP1POLBNPC1RAB9ALMNA
SCHEMBL2079087 0.82 NPC1 (0.49) ALDH1A1HPGDNPC1RAB9ALMNA
SCHEMBL14989177 0.77 GRM7 (0.43) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL2076257 0.76 TAS1R3 (0.62) ALDH1A1HPGDTDP1POLBLMNA
SCHEMBL27711847 0.74 HPGD (0.67) ALDH1A1HPGDTDP1POLBGAA
SCHEMBL5439855 0.72 NPC1 (0.56) NPC1RAB9ALMNAMEN1NFKB1
SCHEMBL29517856 0.71 HPGD (0.72) ALDH1A1HPGDTDP1POLBGAA
SCHEMBL2079610 0.70 KMT2A (0.56) ALDH1A1TDP1GAANPC1RAB9A
SCHEMBL6486254 0.70 HPGD (0.60) ALDH1A1HPGDTDP1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373191-B1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2013-06-05 EP claimed
US-20100183712-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-22 US claimed
US-7713963-B2 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-11 US 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
EP-1373191-B1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2013-06-05 EP disclosed
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
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 ALDH1A1 888/4885HPGD 504/4885TDP1 3692/4885
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals EDNRA, VEGFA, EDNRB ALDH1A1 583/4885HPGD 514/4885TDP1 3272/4885
US-20070082897-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS EDNRA, EDNRB, VEGFA ALDH1A1 829/4885HPGD 487/4885TDP1 3625/4885

“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.