SCHEMBL16396102

SCHEMBL16396102

CC(C)(c1ccc(Br)cc1)c1cc(Cl)cc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 4/20 0.40
GPR35 Q9HC97 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
POLB P06746 1/20 0.38
GALR3 O60755 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTPRC P08575 1/20 0.35
HSD17B10 Q99714 1/20 0.34
HSD11B1 P28845 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.33
XDH P47989 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL19433684 0.89 ALDH1A1 (0.43) ALDH1A1TDP1GPR35KMT2AMEN1
SCHEMBL19433665 0.87 ALDH1A1 (0.39) ALDH1A1TDP1GPR35KMT2AMEN1
SCHEMBL19433250 0.83 APP (0.43) ALDH1A1TDP1POLBHTTL3MBTL1
SCHEMBL19433348 0.81 MAPK1 (0.40) ALDH1A1TDP1POLBHTTL3MBTL1
SCHEMBL16396157 0.79 ALDH1A1 (0.44) ALDH1A1TDP1GPR35KMT2AMEN1
SCHEMBL17687350 0.79 ALDH1A1 (0.37) ALDH1A1TDP1GPR35KMT2AMEN1
SCHEMBL11732882 0.77 HTT (0.47) ALDH1A1TDP1GPR35KMT2AMEN1
SCHEMBL16402067 0.77 ALDH1A1 (0.38) ALDH1A1TDP1GPR35KMT2AMEN1
SCHEMBL16396201 0.77 MEN1 (0.32) ALDH1A1TDP1GPR35KMT2AMEN1
SCHEMBL16402143 0.73 ALDH1A1 (0.41) ALDH1A1TDP1GPR35KMT2AMEN1

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 ALDH1A1 1646/4885TDP1 4476/4885GPR35 2270/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A ALDH1A1 1646/4885TDP1 4476/4885GPR35 2270/4885

“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.