SCHEMBL1483225

SCHEMBL1483225

N#Cc1ccc(NC(=O)CCCl)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.53
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 2/20 0.40
CASP3 P42574 1/20 0.40
CASP2 P42575 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
TP53 P04637 3/20 0.40

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
SCHEMBL1483561 0.88 MAPT (0.56) ARKCNQ3KCNQ2MAPTSMN1; SMN2
SCHEMBL20942380 0.86 AR (0.59) ARKCNQ3KCNQ2MAPTSMN1; SMN2
SCHEMBL12354786 0.82 AR (0.56) ARKCNQ3KCNQ2MAPTKMT2A
SCHEMBL19776339 0.80 KCNQ3 (0.56) ARKCNQ3KCNQ2CHEK1BRAF
SCHEMBL23323011 0.79 KCNQ3 (0.56) ARKCNQ3KCNQ2MAPTSMN1; SMN2
SCHEMBL20941572 0.79 KMT2A (0.53) ARKCNQ3KCNQ2MAPTKMT2A
SCHEMBL3305812 0.78 AR (0.57) ARKCNQ3KCNQ2CHEK1BRAF
SCHEMBL19585102 0.78 AR (0.46) ARKCNQ3KCNQ2SMN1; SMN2HDAC1
SCHEMBL1484389 0.77 HDAC3 (0.60) ARMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL20576296 0.77 MEN1 (0.50) MAPTSMN1; SMN2KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314103-B2 Pyridyl derivatives, their preparation and use Piramal Enterprises Limited (IN) 2012-11-20 US disclosed
US-20110077252-A1 PYRIDYL DERIVATIVES, THEIR PREPARATION AND USE Piramal Enterprises Limited (IN) 2011-03-31 US disclosed
WO-2009019656-A1 PYRIDYL DERIVATIVES, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2009-02-12 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 (1 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-20110077252-A1 PYRIDYL DERIVATIVES, THEIR PREPARATION AND USE HIF1AN, HIF1A, MTOR AR 3332/4885KCNQ3 4563/4885KCNQ2 4546/4885

“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.