SCHEMBL14872736

SCHEMBL14872736

CCCCOc1ccc(CN2CCN(CC(=O)NN)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
ALDH1A1 P00352 3/20 0.61
TSHR P16473 1/20 0.59
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
TP53 P04637 2/20 0.57
HPGD P15428 1/20 0.57
CYP2D6 P10635 1/20 0.57
GAA P10253 1/20 0.57
S1PR5 Q9H228 6/20 0.56
S1PR1 P21453 6/20 0.53
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
FAAH O00519 1/20 0.53
S1PR3 Q99500 4/20 0.52

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
SCHEMBL14872744 0.86 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRRAB9A
SCHEMBL12244095 0.84 ACHE (0.58) ALDH1A1KDM4EFAAH
SCHEMBL14859635 0.83 KMT2A (0.54) MEN1KMT2AALDH1A1KDM4EFAAH
SCHEMBL1046370 0.82 TSHR (0.84) MEN1KMT2AALDH1A1TSHRRAB9A
SCHEMBL14859632 0.81 HRH3 (0.64) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL12222589 0.81 ALDH1A1 (0.56) MEN1KMT2AALDH1A1RAB9ATP53
SCHEMBL14872732 0.81 ALDH1A1 (0.62) MEN1KMT2AALDH1A1TSHRRAB9A
SCHEMBL14860046 0.79 ALDH1A1 (0.59) MEN1KMT2AALDH1A1TSHR
SCHEMBL1044760 0.78 RAB9A (0.91) MEN1KMT2AALDH1A1TSHRRAB9A
SCHEMBL15560514 0.77 KMT2A (0.54) MEN1KMT2AALDH1A1KDM4EFAAH

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-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 (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-20150231132-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS CASP3, CASP5, CASP6 MEN1 3281/4885KMT2A 3185/4885ALDH1A1 3075/4885
US-20130096133-A1 PROCASPASE-ACTIVATING COMPOUNDS AND COMPOSITIONS CASP3, CASP5, CASP6 MEN1 2731/4885KMT2A 3351/4885ALDH1A1 3462/4885

“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.