SCHEMBL14859644

SCHEMBL14859644

c1ccc(COc2ccc(CN3CCNCC3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.70
NPC1 O15118 5/20 0.69
RAB9A P51151 4/20 0.69
TP53 P04637 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
KDM4E B2RXH2 1/20 0.69
MEN1 O00255 1/20 0.69
ALDH1A1 P00352 1/20 0.69
KMT2A Q03164 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
HRH3 Q9Y5N1 7/20 0.64
MAPT P10636 1/20 0.60
HTT P42858 1/20 0.60
LTA4H P09960 1/20 0.59
EGFR P00533 1/20 0.57
S1PR5 Q9H228 1/20 0.57
PRMT5 O14744 1/20 0.57
FAAH O00519 1/20 0.56

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
SCHEMBL3045900 0.94 HRH3 (0.66) SIGMAR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL1143656 0.89 NPC1 (0.85) SIGMAR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL2232053 0.88 HRH3 (0.63) SIGMAR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL2231843 0.87 HRH3 (0.64) SIGMAR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL2236278 0.87 HRH3 (0.60) SIGMAR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL2233922 0.87 HRH3 (0.64) SIGMAR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL31484892 0.86 HRH3 (0.78) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL2363227 0.85 HRH3 (0.55) SIGMAR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL7811609 0.84 NPC1 (0.78) SIGMAR1NPC1RAB9ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL2195635 0.84 KDM4E (0.60) SIGMAR1NPC1RAB9ATP53SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180360824-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-12-20 US disclosed
US-10022371-B2 Procaspase-activating compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-17 US disclosed
US-10022371-B2 Procaspase-activating compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-17 US disclosed
US-20150231132-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-08-20 US disclosed
US-8916705-B2 Procaspase-activating compounds and compositions The Board of Trustees of The University of Illilnois (US) 2014-12-23 US disclosed
US-20130096133-A1 PROCASPASE-ACTIVATING COMPOUNDS AND COMPOSITIONS The Board of Trustees of the University lllinois (US) 2013-04-18 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 (4 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-20150231132-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS CASP3, CASP5, CASP6 SIGMAR1 4613/4885NPC1 2255/4885RAB9A 3591/4885
US-20180360824-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS CASP3, CASP5, CASP6 SIGMAR1 4613/4885NPC1 2255/4885RAB9A 3591/4885
US-20130096133-A1 PROCASPASE-ACTIVATING COMPOUNDS AND COMPOSITIONS CASP3, CASP5, CASP6 SIGMAR1 4673/4885NPC1 2639/4885RAB9A 3508/4885
US-10022371-B2 Procaspase-activating compounds and methods CASP3, CASP5, CASP6 SIGMAR1 4613/4885NPC1 2255/4885RAB9A 3591/4885

“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.