SCHEMBL3316435

SCHEMBL3316435

Cc1nc2ccc(Cl)cc2c(C)c1C(=O)OCc1ccccc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
FABP3 P05413 2/20 0.48
FABP4 P15090 2/20 0.48
PLA2G2A P14555 3/20 0.47
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
DHODH Q02127 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PRNP P04156 2/20 0.39
HPGD P15428 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL3320612 0.87 MAPT (0.59) MAPTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL3321907 0.86 MAPT (0.53) MAPTRAB9ANPC1FABP3FABP4
SCHEMBL23574981 0.81 FABP3 (0.52) MAPTRAB9ANPC1FABP3FABP4
SCHEMBL3351942 0.78 SMN1; SMN2 (0.55) MAPTRAB9AKDM4ESMN1; SMN2LMNA
SCHEMBL3324257 0.75 SMN1; SMN2 (0.55) MAPTPLA2G2AKDM4ESMN1; SMN2LMNA
SCHEMBL26632788 0.75 ALDH1A1 (0.50) MAPTRAB9ANPC1FABP3FABP4
SCHEMBL3322903 0.72 FABP4 (0.73) MAPTRAB9ANPC1FABP3FABP4
SCHEMBL31442611 0.72 ALDH1A1 (0.61) MAPTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL3316451 0.70 LMNA (0.66) MAPTRAB9ANPC1FABP3FABP4
SCHEMBL3321046 0.70 FABP3 (0.56) MAPTRAB9ANPC1FABP3FABP4

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 5 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

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 MAPT 4101/4885RAB9A 1215/4885NPC1 655/4885
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E MAPT 4101/4885RAB9A 1215/4885NPC1 655/4885
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E MAPT 4101/4885RAB9A 1215/4885NPC1 655/4885

“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.