SCHEMBL15469462

SCHEMBL15469462

Cc1cnc2c(c1)OCCC2=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.39
MAOA P21397 1/20 0.37
KMT2A Q03164 1/20 0.37
GRM5 P41594 5/20 0.36
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 1/20 0.32
DRD1 P21728 1/20 0.30

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
SCHEMBL15469478 0.79 MAOB (0.39) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL15469471 0.79 MAOB (0.39) MAOBMAOAKMT2AGRM5NPC1
SCHEMBL18479447 0.79 ADRA2A (0.31) KMT2ANPC1RAB9A
SCHEMBL23782777 0.79 MAOB (0.39) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL15070849 0.79 MAOB (0.34) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL15469485 0.79 MAOB (0.39) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL2669099 0.76 ALDH1A1 (0.41) KMT2AGRM5ALDH1A1HPGD
SCHEMBL2669710 0.74 GRM5 (0.40) KMT2AGRM5
SCHEMBL31168610 0.74 PKM (0.34) MAOBKMT2ANPC1RAB9AALDH1A1
SCHEMBL827778 0.74 PKM (0.34) MAOBKMT2ANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392397-B2 Heterocyclic thiosemicarbazone derivatives and their therapeutical applications NANTBIO, INC. (US) 2019-08-27 US disclosed
US-20180208603-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS NANT HOLDINGS IP, LLC 2018-07-26 US disclosed
US-20180208603-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS NANT HOLDINGS IP, LLC 2018-07-26 US disclosed
WO-2017024315-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS NANT HOLDINGS IP, LLC (US) 2017-02-09 WO disclosed
US-8952009-B2 Chroman derivatives as TRPM8 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
US-8952009-B2 Chroman derivatives as TRPM8 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC. (US) 2014-02-13 US disclosed
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC. (US) 2014-02-13 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 (4 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-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 MAOB 1631/4885MAOA 601/4885KMT2A 2639/4885
US-10392397-B2 Heterocyclic thiosemicarbazone derivatives and their therapeutical applications TPMT, MKI67, TST MAOB 509/4885MAOA 1773/4885KMT2A 3192/4885
US-20180208603-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS TPMT, MKI67, TST MAOB 509/4885MAOA 1773/4885KMT2A 3192/4885
US-20140045855-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 MAOB 1631/4885MAOA 601/4885KMT2A 2639/4885

“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.