SCHEMBL16396165

SCHEMBL16396165

COc1cccc(C(=O)c2cccc(C#N)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.63
VNN1 O95497 2/20 0.59
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
STS P08842 3/20 0.57
PARP1 P09874 1/20 0.56
GSK3B P49841 2/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
XBP1 P17861 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MCHR1 Q99705 1/20 0.50
CBX7 O95931 1/20 0.49
CDYL2 Q8N8U2 1/20 0.49

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
SCHEMBL7780410 0.91 VNN1 (0.63) P4HBVNN1STSGSK3BRAB9A
SCHEMBL31414638 0.86 CES2 (0.77) CES2CES1STSPARP1RAB9A
SCHEMBL4823687 0.86 CES2 (0.77) CES2CES1STSPARP1RAB9A
SCHEMBL4709783 0.84 VNN1 (0.52) P4HBVNN1CES2CES1STS
SCHEMBL9078419 0.84 HPGD (0.66) P4HBVNN1CES2CES1STS
Hydrochloric Acid SCHEMBL27733557 0.84 CES2 (0.74) CES2CES1STSPARP1RAB9A
SCHEMBL28597456 0.84 P4HB (0.56) P4HBVNN1CES2CES1PARP1
SCHEMBL8385880 0.84 P4HB (0.56) P4HBVNN1CES2CES1PARP1
SCHEMBL4709037 0.83 VNN1 (0.51) P4HBVNN1CES2CES1STS
SCHEMBL16110416 0.83 CYP2C8 (0.52) P4HBVNN1CES2CES1ALDH1A1

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-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
CN-105283443-A Heterocyclic derivatives and use thereof C & C RES LAB 2016-01-27 CN 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 P4HB 704/4885VNN1 4668/4885CES2 3878/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A P4HB 704/4885VNN1 4668/4885CES2 3878/4885

“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.