SCHEMBL3323151

SCHEMBL3323151

CC(C)(C(=O)NN)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
P2RX7 Q99572 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAP4K4 O95819 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 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
SCHEMBL13363407 0.82 FFAR2 (0.50) FFAR2ALDH1A1KDM4ELMNAMAPT
SCHEMBL11870199 0.81 ALDH1A1 (0.48) FFAR2ALDH1A1KDM4ELMNAMAPT
SCHEMBL30838559 0.81 KMT2A (0.47) FFAR2ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL30730263 0.80 HDAC3 (0.45) FFAR2ALDH1A1POLBMEN1KMT2A
SCHEMBL21378779 0.80 MAPT (0.61) KDM4EMAPTKMT2ACYP1A2CYP2C19
SCHEMBL2799510 0.78 KMT2A (0.63) FFAR2ALDH1A1KDM4ELMNAMAPT
SCHEMBL8160579 0.77 MEN1 (0.56) FFAR2ALDH1A1KDM4ELMNAMAPT
SCHEMBL30730384 0.77 ALDH1A1 (0.52) FFAR2ALDH1A1KDM4ELMNAMAPT
SCHEMBL19427961 0.77 KDM4E (0.47) FFAR2ALDH1A1KDM4ELMNAMAPT
SCHEMBL25463746 0.77 KCNN4 (0.45) FFAR2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865739-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-10-21 US disclosed
US-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-04-17 US disclosed
US-8664399-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US disclosed
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-25 US disclosed
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 US disclosed
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 US disclosed
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 US disclosed
WO-2010056865-A1 QUINOLINE DERIVATIVES AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 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-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E FFAR2 613/4885ALDH1A1 2215/4885KDM4E 1527/4885
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E FFAR2 613/4885ALDH1A1 2215/4885KDM4E 1527/4885
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E FFAR2 613/4885ALDH1A1 2215/4885KDM4E 1527/4885

“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.