SCHEMBL8280792

SCHEMBL8280792

CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
MAPT P10636 6/20 0.56
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL8278996 0.86 ALDH1A1 (0.62) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12562041 0.84 MAPT (0.59) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL10940028 0.83 MAPT (0.57) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL10942052 0.83 MAPT (0.57) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1285585 0.82 NPC1 (0.61) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL11848975 0.82 MAPT (0.60) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL10604485 0.82 MAPT (0.64) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL223451 0.81 MAPT (0.63) ALDH1A1MAPTRAB9ANPC1MEN1
SCHEMBL8947150 0.81 GAA (0.67) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3955088 0.80 MAPT (0.62) ALDH1A1MAPTRAB9ANPC1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902330-B2 Protein kinase inhibitors and methods for identifying same ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-03-08 US disclosed
US-7902330-B2 Protein kinase inhibitors and methods for identifying same ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-03-08 US disclosed
US-20070254312-A1 Protein Kinase Inhibitors and Methods for Identiying Same NATIONAL INSTITUTES OF HEALTH 2007-11-01 US disclosed
US-20070254312-A1 Protein Kinase Inhibitors and Methods for Identiying Same NATIONAL INSTITUTES OF HEALTH 2007-11-01 US disclosed
WO-2005079300-A2 PROTEIN KINASE INHIBITORS AND METHODS FOR IDENTIFYING SAME ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2005-09-01 WO 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 (1 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-20070254312-A1 Protein Kinase Inhibitors and Methods for Identiying Same PRKCA, PRKCE, PRKCB ALDH1A1 4408/4885MAPT 3466/4885RAB9A 2011/4885

“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.