SCHEMBL10071685

SCHEMBL10071685

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.61
MEN1 O00255 8/20 0.61
LMNA P02545 7/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 7/20 0.57
KDM4E B2RXH2 5/20 0.57
GAA P10253 3/20 0.57
CASP1 P29466 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GABRA1 P14867 1/20 0.56
GABRB2 P47870 1/20 0.56
ALOX12 P18054 2/20 0.56
HTT P42858 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.51
AKR1B1 P15121 1/20 0.48

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
SCHEMBL2314814 1.00 KMT2A (0.61) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL7171833 0.85 KMT2A (0.62) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL6823137 0.85 KMT2A (0.62) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL18657312 0.83 KMT2A (0.62) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL8981609 0.83 KMT2A (0.61) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL433429 0.80 GABRA1 (0.66) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL10071684 0.80 KMT2A (0.58) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL18657298 0.80 KMT2A (0.57) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL14337169 0.80 KMT2A (0.60) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL10041813 0.79 GABRA1 (0.63) KMT2AMEN1LMNAALDH1A1MAPT

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-9643960-B2 Procaspase activating compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-09 US disclosed
EP-2393794-B1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS UNIV ILLINOIS (US) 2017-03-22 EP 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 KMT2A 3165/4885MEN1 3781/4885LMNA 307/4885
US-20140315915-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS CASP3, CASP6, CASP14 KMT2A 3466/4885MEN1 3644/4885LMNA 562/4885
US-20120040995-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS CASP3, CASP6, CASP14 KMT2A 3466/4885MEN1 3644/4885LMNA 562/4885

“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.