SCHEMBL19433337

SCHEMBL19433337

Nc1cc(Cl)cc(C2(c3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
GSK3B P49841 2/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
BACE1 P56817 1/20 0.40
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 5/20 0.38
SLC6A2 P23975 3/20 0.38
HSD11B2 P80365 2/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
KDM1A O60341 1/20 0.36
AKT1 P31749 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
SCHEMBL9735920 0.79 CCNB2 (0.47) ALDH1A1L3MBTL1CCNB2CDK1CCNB1
SCHEMBL22081739 0.71 CYP3A4 (0.48) TP53CYP3A4ALDH1A1SLC6A4SLC6A3
SCHEMBL940896 0.70 ALDH1A1 (0.76) TP53CYP3A4ALDH1A1L3MBTL1
SCHEMBL9694893 0.69 MAOA (0.52) ALDH1A1CCNB2CDK1CCNB1GSK3B
SCHEMBL9694527 0.69 MAOB (0.47) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL22032824 0.68 TP53 (0.44) TP53CYP3A4ALDH1A1SLC6A4SLC6A3
SCHEMBL22081819 0.68 TP53 (0.44) TP53CYP3A4ALDH1A1SLC6A4SLC6A3
SCHEMBL31210281 0.67 OPRM1 (0.59) ALDH1A1SLC6A4SLC6A3SLC6A2HSD11B2
SCHEMBL31210280 0.67 OPRM1 (0.59) ALDH1A1SLC6A4SLC6A3SLC6A2HSD11B2
SCHEMBL1764806 0.66 DRD2 (0.64) CYP3A4CCNB2CDK1CCNB1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227270-B1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RES LAB (KR) 2024-11-13 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-3227270-A2 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2017-10-11 EP 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-10023591-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A TP53 184/4885CYP3A4 2899/4885ALDH1A1 1646/4885
US-20170320889-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A TP53 184/4885CYP3A4 2899/4885ALDH1A1 1646/4885

“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.