SCHEMBL10043832

SCHEMBL10043832

Cc1cc2c(cn1)cc(-c1cc(NC(=O)NC3CCCCC3)ccc1C)c(=O)n2C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
EPHX2 P34913 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
EPHX1 P07099 3/20 0.47
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.43
MAPK14 Q16539 1/20 0.42
HPGD P15428 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 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
SCHEMBL10043837 0.99 NPC1 (0.50) NPC1RAB9ASMN1; SMN2EPHX2TSHR
SCHEMBL10043862 0.88 KDM4E (0.48) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL10043738 0.88 KDM4E (0.56) NPC1KDM4EHSD17B10ALDH1A1MAPK14
SCHEMBL10043701 0.88 KDM4E (0.56) NPC1KDM4EHSD17B10ALDH1A1MAPK14
SCHEMBL10043867 0.85 ABL1 (0.47) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL10043871 0.85 ABL1 (0.46) KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL10043963 0.85 ABL1 (0.53) KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL10043828 0.85 RAB9A (0.48) NPC1RAB9ASMN1; SMN2KDM4EMAPK14
SCHEMBL10043829 0.84 SYK (0.41) NPC1RAB9ATSHR
SCHEMBL10043821 0.83 SYK (0.49) NPC1RAB9ASMN1; SMN2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106068-B2 Compositions and methods for modulating c-kit and PDGFR receptors IRM LLC (BM) 2012-01-31 US disclosed
US-8106068-B2 Compositions and methods for modulating c-kit and PDGFR receptors IRM LLC (BM) 2012-01-31 US disclosed
US-20100081656-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2010-04-01 US disclosed
US-20100081656-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2010-04-01 US disclosed
US-7678792-B2 Compositions and methods for modulating c-kit and PDGFR receptors IRM LLC (BM) 2010-03-16 US disclosed
US-7678792-B2 Compositions and methods for modulating c-kit and PDGFR receptors IRM LLC (BM) 2010-03-16 US disclosed
US-20080176846-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2008-07-24 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 (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-20080176846-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS FYN, FLT3, SRC NPC1 4095/4885RAB9A 1818/4885SMN1; SMN2 2302/4885
US-20100081656-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS FYN, FLT3, SRC NPC1 4095/4885RAB9A 1818/4885SMN1; SMN2 2302/4885

“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.