SCHEMBL5496804

SCHEMBL5496804

Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
HPGD P15428 1/20 0.66
TP53 P04637 2/20 0.65
LMNA P02545 1/20 0.65
MAPT P10636 1/20 0.60
KDM4E B2RXH2 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
TSHR P16473 2/20 0.59
PDE10A Q9Y233 2/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPC1 O15118 1/20 0.58
POLB P06746 1/20 0.58
RECQL P46063 1/20 0.58
RAB9A P51151 1/20 0.58
MCL1 Q07820 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
PTGFR P43088 3/20 0.56
TACR3 P29371 3/20 0.56
TACR2 P21452 2/20 0.56

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
SCHEMBL6447781 0.92 ALDH1A1 (0.73) ALDH1A1HPGDTP53LMNAMAPT
SCHEMBL14523182 0.91 LMNA (0.79) ALDH1A1HPGDTP53LMNAMAPT
SCHEMBL14523178 0.88 ALDH1A1 (0.66) ALDH1A1HPGDTP53LMNAMAPT
SCHEMBL6448599 0.82 ALDH1A1 (0.67) ALDH1A1HPGDTP53LMNAMAPT
SCHEMBL8226622 0.80 ALDH1A1 (0.64) ALDH1A1HPGDTP53LMNAMAPT
SCHEMBL16553849 0.79 LMNA (0.67) ALDH1A1HPGDTP53LMNAMAPT
SCHEMBL1582049 0.79 ALDH1A1 (0.62) ALDH1A1HPGDTP53LMNAMAPT
SCHEMBL12564406 0.78 DHODH (0.65) ALDH1A1HPGDTP53LMNAKDM4E
SCHEMBL1581468 0.75 PDE10A (1.00) LMNATSHRPDE10AKMT2ACYP2C19
SCHEMBL15503685 0.74 KDM4E (1.00) ALDH1A1HPGDTP53LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180110757-A1 METHODS OF TREATING PRURITIS AND PAIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-04-26 US disclosed
US-7208502-B2 Methods of treating conditions associated with an Edg-3 receptor MANIV ENERGY CAPITAL (US) 2007-04-24 US disclosed
US-7208502-B2 Methods of treating conditions associated with an Edg-3 receptor MANIV ENERGY CAPITAL (US) 2007-04-24 US disclosed
US-7208502-B2 Methods of treating conditions associated with an Edg-3 receptor MANIV ENERGY CAPITAL (US) 2007-04-24 US disclosed
US-20070032459-A1 METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG-3 RECEPTOR MANIV ENERGY CAPITAL 2007-02-08 US disclosed
US-20070032459-A1 METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG-3 RECEPTOR MANIV ENERGY CAPITAL 2007-02-08 US disclosed
US-20070032459-A1 METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG-3 RECEPTOR MANIV ENERGY CAPITAL 2007-02-08 US disclosed
EP-1513522-A2 METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG RECEPTOR SRI INTERNATIONAL (US) 2005-03-16 EP disclosed
WO-2003062392-A2 METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG RECEPTOR CERETEK LLC (US) 2003-07-31 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 (2 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-20070032459-A1 METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG-3 RECEPTOR EDNRA, EDNRB, ESRRG ALDH1A1 3227/4885HPGD 660/4885TP53 4527/4885
US-20180110757-A1 METHODS OF TREATING PRURITIS AND PAIN CYSLTR2, LTB4R2, CYSLTR1 ALDH1A1 2169/4885HPGD 1168/4885TP53 4728/4885

“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.