SCHEMBL19764239

SCHEMBL19764239

Cc1ccc(O)c(CN(C)C(=O)C(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
HPGD P15428 4/20 0.53
USP2 O75604 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 5/20 0.49
GFER P55789 1/20 0.41
RAB9A P51151 1/20 0.40
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
KMT2A Q03164 5/20 0.33
GRM5 P41594 1/20 0.33
OPRK1 P41145 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
POLB P06746 2/20 0.31
MEN1 O00255 3/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
G6PD P11413 1/20 0.31

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
SCHEMBL19764228 0.83 ALDH1A1 (0.53) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL19764244 0.79 KDM4E (0.47) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL11403516 0.77 KDM4E (0.62) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL17936454 0.77 KDM4E (0.50) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL14547221 0.74 RAB9A (0.40) HPGDRAB9AKMT2AGRM5LMNA
SCHEMBL18550512 0.74 KDM4E (0.54) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL17935432 0.70 KDM4E (0.53) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL18539765 0.70 KDM4E (0.53) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL4565165 0.69 KDM4E (0.47) KDM4EHPGDUSP2HSD17B10ALDH1A1
Emoxypine SCHEMBL29362452 0.68 KDM4E (0.72) KDM4EHPGDUSP2HSD17B10ALDH1A1

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-9932324-B2 Substituted benzimidazolium compounds useful in the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-04-03 US disclosed
US-20180009789-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-11 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-20180009789-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES F12, CKMT1A; CKMT1B, CHRM1 KDM4E 3714/4885HPGD 2699/4885USP2 3988/4885

“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.