SCHEMBL785716

SCHEMBL785716

COC(=O)c1ccc2c(c1)OCCC2N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL785717 1.00 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL803156 0.89 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL30405829 0.89 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL2815197 0.88 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL2815198 0.88 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4336961 0.84 MAP3K14 (0.54) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4336968 0.84 MAP3K14 (0.54) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28332237 0.84 MAP3K14 (0.54) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL27984676 0.83 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5956847 0.83 SMN1; SMN2 (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 EP 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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 KDM4E 1686/4885ALDH1A1 2624/4885SMN1; SMN2 3300/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 KDM4E 2727/4885ALDH1A1 1267/4885SMN1; SMN2 2971/4885

“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.