SCHEMBL14980555

SCHEMBL14980555

Clc1ccc(CNc2ccc3ccccc3n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
HDAC6 Q9UBN7 1/20 0.62
KDM4E B2RXH2 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 2/20 0.55
TP53 P04637 1/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 1/20 0.55
APP P05067 2/20 0.51
KMT2A Q03164 2/20 0.51
MAP4K4 O95819 1/20 0.51
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
PDE5A O76074 1/20 0.49
EGFR P00533 1/20 0.49
NCF1 P14598 1/20 0.49
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL30885179 0.86 RAB9A (0.66) NPC1RAB9AHDAC6KDM4ESMN1; SMN2
SCHEMBL19553834 0.86 RAB9A (0.66) NPC1RAB9AHDAC6KDM4ESMN1; SMN2
SCHEMBL22926769 0.84 NPC1 (0.63) NPC1RAB9AHDAC6KDM4ESMN1; SMN2
SCHEMBL18572133 0.80 MAP4K4 (0.48) NPC1RAB9AHDAC6KDM4EHPGD
SCHEMBL21682139 0.80 NPC1 (0.59) NPC1RAB9AHDAC6KDM4ESMN1; SMN2
SCHEMBL18572134 0.80 MAP4K4 (0.48) NPC1RAB9AHDAC6KDM4EHPGD
SCHEMBL29523322 0.80 NPC1 (0.59) NPC1RAB9AHDAC6KDM4ESMN1; SMN2
SCHEMBL17713558 0.77 KDM4E (0.58) NPC1RAB9AKDM4ESMN1; SMN2HPGD
SCHEMBL19631282 0.77 HDAC6 (1.00) NPC1RAB9AHDAC6
SCHEMBL22164115 0.77 NPC1 (0.49) NPC1RAB9AHDAC6KDM4ESMN1; SMN2

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-9394253-B2 Kinase protein binding inhibitors HEALTH RESEARCH, INC. (US) 2016-07-19 US disclosed
US-9394253-B2 Kinase protein binding inhibitors HEALTH RESEARCH, INC. (US) 2016-07-19 US disclosed
US-20150051245-A1 KINASE PROTEIN BINDING INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-19 US disclosed
US-20150051245-A1 KINASE PROTEIN BINDING INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-19 US disclosed
WO-2013074517-A1 KINASE PROTEIN BINDING INHIBITORS ROSWELL PARK CANCER INSTITUTE (US) 2013-05-23 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-20150051245-A1 KINASE PROTEIN BINDING INHIBITORS PACSIN2, PRKCH, CKS1B NPC1 2117/4885RAB9A 2619/4885HDAC6 1588/4885

“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.