SCHEMBL16396138

SCHEMBL16396138

COc1ccc(COC(=O)c2cc(OCc3ccc(OC)cc3)cc([N+](=O)[O-])c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
MAOB P27338 5/20 0.52
GAA P10253 1/20 0.52
MAOA P21397 2/20 0.51
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALOX5 P09917 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
SLC2A1 P11166 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL16396184 0.92 HTT (0.51) HTTMAOBGAAMAOAALDH1A1
SCHEMBL16396254 0.88 RAB9A (0.60) MAOBGAAMAOAALDH1A1RAB9A
SCHEMBL16396350 0.87 MAOB (0.53) MAOBGAAMAOAALDH1A1RAB9A
SCHEMBL417705 0.86 MAPT (0.60) HTTMAOBMAOAALDH1A1RAB9A
SCHEMBL8403461 0.83 ALDH1A1 (0.65) HTTMAOBGAAMAOAALDH1A1
SCHEMBL16396263 0.78 VNN1 (0.56) MAOBMAOAALDH1A1RAB9AMAPT
SCHEMBL6841271 0.77 MAPT (0.53) MAOBMAOAALDH1A1MAPTALOX5
SCHEMBL2367158 0.77 NPC1 (0.68) HTTMAPTMAPK1ALOX5SMN1; SMN2
SCHEMBL10651178 0.76 MAOB (0.68) MAOBALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL5708159 0.76 HTT (0.57) HTTGAAALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
EP-3004057-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STAT 3 INHIBITORS C&C RES LAB (KR) 2018-07-25 EP disclosed
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2016-04-21 US disclosed
EP-3004057-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2016-04-13 EP disclosed
WO-2014196793-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2014-12-11 WO 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-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A HTT 1660/4885MAOB 4473/4885GAA 3188/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A HTT 1660/4885MAOB 4473/4885GAA 3188/4885

“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.