SCHEMBL3316451

SCHEMBL3316451

CCOC(=O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
FABP3 P05413 2/20 0.54
FABP4 P15090 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
PLA2G2A P14555 2/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CSF1R P07333 1/20 0.47
FABP5 Q01469 1/20 0.46
ALOX5 P09917 3/20 0.44
CYP1A2 P05177 1/20 0.44
XBP1 P17861 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
SCHEMBL3321046 0.89 FABP3 (0.56) LMNASMN1; SMN2FABP3FABP4MEN1
SCHEMBL3320719 0.86 SMN1; SMN2 (0.61) LMNASMN1; SMN2FABP3FABP4MEN1
SCHEMBL3322903 0.85 FABP4 (0.73) LMNASMN1; SMN2FABP3FABP4MEN1
SCHEMBL23574981 0.81 FABP3 (0.52) LMNASMN1; SMN2FABP3FABP4MEN1
Diethylamine SCHEMBL8121508 0.81 FABP4 (0.66) LMNASMN1; SMN2FABP3FABP4MEN1
SCHEMBL9907548 0.81 ALDH1A1 (0.59) LMNASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL9443184 0.81 CSF1R (0.48) LMNASMN1; SMN2FABP3FABP4MEN1
SCHEMBL14916763 0.80 LMNA (0.46) LMNASMN1; SMN2FABP3FABP4MEN1
SCHEMBL9907572 0.78 ALDH1A1 (0.53) LMNASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL9907653 0.78 ALDH1A1 (0.53) LMNASMN1; SMN2MEN1KMT2AKDM4E

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 12 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 claimed
US-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-04-17 US claimed
US-8664399-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US claimed
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-25 US claimed
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 US claimed
WO-2010056865-A1 QUINOLINE DERIVATIVES AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO claimed
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
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 LMNA 880/4885SMN1; SMN2 2201/4885FABP3 1216/4885
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E LMNA 880/4885SMN1; SMN2 2201/4885FABP3 1216/4885
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E LMNA 880/4885SMN1; SMN2 2201/4885FABP3 1216/4885

“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.