SCHEMBL19368366

SCHEMBL19368366

c1ccc2oc(-c3ccc4cc(-c5ccc6nc[nH]c6c5)sc4c3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
QPCT Q16769 12/20 0.42
ADRA2A P08913 1/20 0.40
QPCTL Q9NXS2 4/20 0.39
MAPT P10636 1/20 0.39
ALOX5 P09917 1/20 0.39
TERT O14746 1/20 0.39
MAOB P27338 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL18746471 0.92 KDM4E (0.46) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL20840948 0.89 KDM4E (0.46) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL19134465 0.86 KDM4E (0.63) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL22871240 0.83 APP (0.38) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL19217080 0.82 ALOX5 (0.42) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23136933 0.81 QPCT (0.52) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL20121979 0.81 KDM4E (0.52) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL19579012 0.81 DYRK1A (0.46) NPC1RAB9AADRA2AMAPTALOX5
SCHEMBL22100552 0.81 FGFR1 (0.45) NPC1RAB9AADRA2AMAPTALOX5
SCHEMBL20017371 0.81 DYRK1A (0.45) KDM4ENPC1ALDH1A1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10238633-B2 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 INTERNATIONAL GMBH (DE) 2019-03-26 US disclosed
US-20170266160-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) 2017-09-21 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 (2 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-10238633-B2 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 KDM4E 1413/4885NPC1 513/4885ALDH1A1 1189/4885
US-20170266160-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 KDM4E 1413/4885NPC1 513/4885ALDH1A1 1189/4885

“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.