SCHEMBL10071684

SCHEMBL10071684

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.58
MEN1 O00255 12/20 0.58
MAPT P10636 10/20 0.57
HTT P42858 9/20 0.57
KDM4E B2RXH2 8/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
LMNA P02545 7/20 0.57
ALOX12 P18054 2/20 0.57
ALDH1A1 P00352 3/20 0.57
GAA P10253 2/20 0.53
CASP1 P29466 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 2/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
PKM P14618 1/20 0.53
GABRA1 P14867 1/20 0.51
GABRB2 P47870 1/20 0.51
CASP3 P42574 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL18657298 0.85 KMT2A (0.57) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL17211957 0.84 MEN1 (0.57) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL17211883 0.84 MEN1 (0.63) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL9458183 0.84 KMT2A (0.62) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL21082987 0.83 MEN1 (0.65) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL21082988 0.83 MEN1 (0.65) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL18657312 0.83 KMT2A (0.62) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL6823137 0.81 KMT2A (0.62) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL7171833 0.81 KMT2A (0.62) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL17067838 0.80 MEN1 (0.65) KMT2AMEN1MAPTHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190201394-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-07-04 US disclosed
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 (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-20150344452-A1 PROCASPASE ACTIVATING COMPOUNDS CASP3, CASP6, BAX KMT2A 3165/4885MEN1 3781/4885MAPT 2110/4885
US-20190201394-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER CASP3, BAX, CASP6 KMT2A 3132/4885MEN1 3135/4885MAPT 3799/4885
US-20140315915-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS CASP3, CASP6, CASP14 KMT2A 3466/4885MEN1 3644/4885MAPT 2871/4885
US-20120040995-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS CASP3, CASP6, CASP14 KMT2A 3466/4885MEN1 3644/4885MAPT 2871/4885

“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.