SCHEMBL17211686

SCHEMBL17211686

CC(=O)CCn1c(-c2ccccn2)ccc(C(=O)O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
KDM4E B2RXH2 5/20 0.37
BRD4 O60885 1/20 0.36
CTSD P07339 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
DHODH Q02127 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MYC P01106 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL17211756 0.90 L3MBTL1 (0.54) L3MBTL1KDM4ECTSDHCAR2KDM6B
SCHEMBL17213442 0.85 L3MBTL1 (0.52) L3MBTL1NPC1RAB9APAX8KDM4E
SCHEMBL19377597 0.75 KDM4E (0.42) L3MBTL1KDM4EHCAR2KDM6BKDM4A
SCHEMBL29626163 0.75 KDM4E (0.42) L3MBTL1KDM4EHCAR2KDM6BKDM4A
SCHEMBL17211672 0.74 ALDH1A1 (0.52) L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL19207113 0.65 JMJD6 (0.44) L3MBTL1NPC1RAB9APAX8KDM4E
SCHEMBL30672122 0.65 GRM5 (0.40) NPC1KDM4EKDM6BKDM4AKDM5C
Dipyridyl SCHEMBL4881410 0.65 KDM4E (0.67) L3MBTL1NPC1RAB9AKDM4EBRD4
Dipyridyl SCHEMBL9641711 0.65 KDM4E (0.67) L3MBTL1NPC1RAB9AKDM4EBRD4
Dipyridyl SCHEMBL11231947 0.65 KDM4E (0.67) L3MBTL1NPC1RAB9AKDM4EBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 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 (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-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CAMKK2 L3MBTL1 1932/4885NPC1 1500/4885RAB9A 3396/4885

“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.