SCHEMBL2079393

SCHEMBL2079393

Cc1c(C(=O)NC2Cc3ccccc3C2)nnn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
ROCK1 Q13464 1/20 0.53
KDM4E B2RXH2 2/20 0.51
CCR1 P32246 1/20 0.51
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RECQL P46063 1/20 0.44
NPY5R Q15761 5/20 0.43
HTT P42858 2/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL2079395 0.84 LMNA (0.58) SMN1; SMN2ROCK1KDM4ECCR1POLB
SCHEMBL4788710 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ROCK1KDM4ECCR1POLB
SCHEMBL13754395 0.79 SMN1; SMN2 (0.69) SMN1; SMN2ROCK1KDM4ECCR1POLB
SCHEMBL13902178 0.78 SMN1; SMN2 (0.71) SMN1; SMN2ROCK1KDM4ECCR1POLB
SCHEMBL4789431 0.78 SCN9A (0.60) SMN1; SMN2ROCK1KDM4ECCR1POLB
SCHEMBL4018661 0.78 POLB (0.70) SMN1; SMN2ROCK1KDM4ECCR1POLB
SCHEMBL17324760 0.78 SMN1; SMN2 (0.67) SMN1; SMN2ROCK1KDM4ECCR1POLB
SCHEMBL13902182 0.77 SMN1; SMN2 (0.68) SMN1; SMN2ROCK1KDM4ECCR1POLB
SCHEMBL8003176 0.76 SMN1; SMN2 (0.74) SMN1; SMN2ROCK1KDM4ECCR1POLB
SCHEMBL13902185 0.75 SMN1; SMN2 (0.69) SMN1; SMN2ROCK1KDM4ECCR1POLB

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 6 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
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-03-20 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 (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 SMN1; SMN2 1284/4885ROCK1 470/4885KDM4E 761/4885
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals EDNRA, VEGFA, EDNRB SMN1; SMN2 1260/4885ROCK1 324/4885KDM4E 569/4885
US-20070082897-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS EDNRA, EDNRB, VEGFA SMN1; SMN2 1265/4885ROCK1 461/4885KDM4E 802/4885

“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.