SCHEMBL3511433

SCHEMBL3511433

COC=Cc1cc(Cl)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
ABL1 P00519 1/20 0.39
ABCB1 P08183 1/20 0.39
BCR P11274 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
ERN1 O75460 1/20 0.34
PTP4A3 O75365 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
CXCL12 P48061 1/20 0.33
KDM4E B2RXH2 1/20 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
SCHEMBL3511431 1.00 TP53 (0.39) TP53ABL1ABCB1BCRTDP1
SCHEMBL24252865 0.81 NFE2L2 (0.45) MAPTERN1KDM4ELMNARELA
SCHEMBL25253314 0.81 NFE2L2 (0.45) MAPTERN1KDM4ELMNARELA
SCHEMBL21356232 0.81 ABL1 (0.37) ABL1ABCB1BCRTDP1TSHR
SCHEMBL21356233 0.81 ABL1 (0.37) ABL1ABCB1BCRTDP1TSHR
SCHEMBL87225 0.79 TDP1 (0.50) ABL1ABCB1BCRTDP1TSHR
SCHEMBL16953528 0.79 TP53 (0.42) TP53ABL1ABCB1BCRTDP1
SCHEMBL30374990 0.77 TP53 (0.44) TP53ABL1ABCB1BCRTDP1
SCHEMBL15050572 0.77 TP53 (0.44) TP53ABL1ABCB1BCRTDP1
SCHEMBL11046054 0.77 TP53 (0.44) TP53ABL1ABCB1BCRTDP1

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-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 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 (1 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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 TP53 2504/4885ABL1 33/4885ABCB1 3067/4885

“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.