SCHEMBL16396157

SCHEMBL16396157

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTT P42858 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GALR3 O60755 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.41
CYP19A1 P11511 1/20 0.39
PTPRC P08575 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
GPR35 Q9HC97 1/20 0.37
CYP3A4 P08684 2/20 0.35
POLB P06746 1/20 0.35
S1PR4 O95977 1/20 0.35

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
SCHEMBL19433665 0.88 ALDH1A1 (0.39) ALDH1A1TDP1HTTMEN1KMT2A
SCHEMBL11732882 0.87 HTT (0.47) ALDH1A1TDP1HTTMEN1KMT2A
SCHEMBL19433348 0.82 MAPK1 (0.40) ALDH1A1TDP1HTTL3MBTL1LMNA
SCHEMBL16401990 0.81 ALDH1A1 (0.34) ALDH1A1TDP1HTTMEN1KMT2A
SCHEMBL19433684 0.80 ALDH1A1 (0.43) ALDH1A1TDP1HTTMEN1KMT2A
SCHEMBL1361857 0.79 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCYP19A1HSD17B10
SCHEMBL29751640 0.79 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCYP19A1HSD17B10
SCHEMBL16396102 0.79 ALDH1A1 (0.40) ALDH1A1TDP1HTTMEN1KMT2A
SCHEMBL16402187 0.78 ALDH1A1 (0.34) ALDH1A1TDP1PTPRC
SCHEMBL1943699 0.77 CYP19A1 (0.62) ALDH1A1TDP1HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227271-B1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RES LAB (KR) 2025-08-13 EP disclosed
EP-3227270-B1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RES LAB (KR) 2024-11-13 EP disclosed
CN-107001345-B Heterocyclic derivatives and use thereof 株式会社C&C新药研究所 2021-03-02 CN disclosed
CN-107231802-B Heterocyclic derivatives and use thereof 株式会社C&C新药研究所 2021-02-12 CN disclosed
US-10633394-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-04-28 US disclosed
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
US-20190119297-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2019-04-25 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-10023591-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2018-07-17 US disclosed
US-20170320889-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2017-11-09 US disclosed
EP-3227271-A2 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2017-10-11 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 (6 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-10023591-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A ALDH1A1 1646/4885TDP1 4476/4885HTT 1660/4885
US-10633394-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A ALDH1A1 1646/4885TDP1 4476/4885HTT 1660/4885
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A ALDH1A1 1646/4885TDP1 4476/4885HTT 1660/4885
US-20170320889-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A ALDH1A1 1646/4885TDP1 4476/4885HTT 1660/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A ALDH1A1 1646/4885TDP1 4476/4885HTT 1660/4885
US-20190119297-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A ALDH1A1 1646/4885TDP1 4476/4885HTT 1660/4885

“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.