SCHEMBL21076175

SCHEMBL21076175

c1ccc2sc(-c3ccc4nc(-c5ccc6ocnc6c5)[nH]c4c3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
POLB P06746 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
DYRK1A Q13627 1/20 0.41
FOXO1 Q12778 1/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
HPGD P15428 4/20 0.38
GLA P06280 4/20 0.38
USP2 O75604 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
BLM P54132 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GMNN O75496 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL21966181 0.93 DYRK1A (0.41) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL19492454 0.86 DYRK1A (0.52) SMN1; SMN2NPC1RAB9ADYRK1AAPP
SCHEMBL21532900 0.84 MEN1 (0.42) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL18746103 0.82 MEN1 (0.42) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL19287942 0.81 ESR1 (0.48) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL19997137 0.79 RIPK1 (0.47) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL20376014 0.79 DYRK1A (0.52) SMN1; SMN2NPC1RAB9ADYRK1AAPP
SCHEMBL19557533 0.79 NPC1 (0.53) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL22917376 0.78 ADRA2A (0.44) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL20381703 0.77 FOXO1 (0.39) MEN1KMT2APOLBSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190167636-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2019-06-06 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 (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-20190167636-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSG, CTSZ MEN1 4712/4885KMT2A 1717/4885POLB 1228/4885

“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.