SCHEMBL10071686

SCHEMBL10071686

C=CCc1cccc(/C=N/NC(=O)CCl)c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.69
KMT2A Q03164 12/20 0.69
HTT P42858 10/20 0.69
MAPT P10636 9/20 0.69
SMN1; SMN2 Q16637 8/20 0.69
KDM4E B2RXH2 8/20 0.69
LMNA P02545 7/20 0.69
ALOX12 P18054 1/20 0.69
TDP1 Q9NUW8 3/20 0.64
RAB9A P51151 2/20 0.64
TP53 P04637 1/20 0.64
CASP3 P42574 1/20 0.64
RECQL P46063 1/20 0.64
CASP7 P55210 1/20 0.64
MTOR P42345 1/20 0.64
ALDH1A1 P00352 3/20 0.63
MAPK1 P28482 1/20 0.61
PKM P14618 1/20 0.55
POLB P06746 1/20 0.55
NPC1 O15118 1/20 0.54

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
SCHEMBL17067838 0.84 MEN1 (0.65) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL21082987 0.84 MEN1 (0.65) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL21082988 0.84 MEN1 (0.65) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL13978683 0.84 HTT (0.65) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL9458183 0.82 KMT2A (0.62) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL17211883 0.82 MEN1 (0.63) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL14681365 0.81 ALDH1A1 (0.75) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL684611 0.81 MEN1 (0.71) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL10031205 0.80 KMT2A (0.73) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL9929304 0.80 MEN1 (0.63) MEN1KMT2AHTTMAPTSMN1; 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-9643960-B2 Procaspase activating compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-09 US disclosed
US-20150344452-A1 PROCASPASE ACTIVATING COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-12-03 US disclosed
US-9102661-B2 Design, synthesis and evaluation of procaspase activating compounds as personalized anti-cancer drugs THE BOARD OF TRUSTEES OF THE UNIVERSITY ILLINOIS (US) 2015-08-11 US disclosed
US-20140315915-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-10-23 US disclosed
US-8778945-B2 Design, synthesis and evaluation of procaspase activating compounds as personalized anti-cancer drugs THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-07-15 US disclosed
US-20120040995-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-02-16 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 (3 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-20150344452-A1 PROCASPASE ACTIVATING COMPOUNDS CASP3, CASP6, BAX MEN1 3781/4885KMT2A 3165/4885HTT 2522/4885
US-20140315915-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS CASP3, CASP6, CASP14 MEN1 3644/4885KMT2A 3466/4885HTT 2686/4885
US-20120040995-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS CASP3, CASP6, CASP14 MEN1 3644/4885KMT2A 3466/4885HTT 2686/4885

“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.