SCHEMBL16396263

SCHEMBL16396263

COc1ccc(COc2cc(C(=O)c3cccc(C#N)c3)cc([N+](=O)[O-])c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.56
MAOB P27338 4/20 0.51
MAOA P21397 2/20 0.51
SMPD1 P17405 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
THRB P10828 1/20 0.47
XBP1 P17861 1/20 0.47
PAX8 Q06710 1/20 0.47
KLF5 Q13887 1/20 0.47
MAPT P10636 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
SLC2A1 P11166 1/20 0.45
ALDH1A1 P00352 3/20 0.45
PKM P14618 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL17687413 0.83 MAOB (0.46) VNN1MAOBMAOASMN1; SMN2THRB
SCHEMBL16396254 0.80 RAB9A (0.60) MAOBMAOASMN1; SMN2MEN1KMT2A
SCHEMBL16395914 0.79 TLR4 (0.41) MAOBMAOASMN1; SMN2THRBXBP1
SCHEMBL16396350 0.79 MAOB (0.53) MAOBMAOASMPD1SMN1; SMN2MAPT
SCHEMBL16396138 0.78 HTT (0.59) MAOBMAOASMN1; SMN2MAPTLMNA
SCHEMBL7780410 0.76 VNN1 (0.63) VNN1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9796044 0.73 TLR4 (0.63) MAOBMAOASLC2A1RAB9A
SCHEMBL4029474 0.73 NPC1 (0.57) MAOBSMPD1RAB9A
SCHEMBL16396165 0.73 P4HB (0.63) VNN1XBP1MAPTMEN1KMT2A
SCHEMBL31067505 0.72 MAPT (0.67) SMN1; SMN2PAX8MAPTMEN1KMT2A

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 VNN1 4668/4885MAOB 4473/4885MAOA 4301/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A VNN1 4668/4885MAOB 4473/4885MAOA 4301/4885

“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.