SCHEMBL3453972

SCHEMBL3453972

Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
POLB P06746 2/20 0.67
KMT2A Q03164 2/20 0.67
LMNA P02545 1/20 0.67
PKM P14618 1/20 0.67
APEX1 P27695 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
SNCA P37840 1/20 0.65
PRMT1 Q99873 2/20 0.59
PTGS1 P23219 3/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
HSD11B1 P28845 1/20 0.51
GRM4 Q14833 1/20 0.51
TOP1 P11387 1/20 0.50
TOP2A P11388 1/20 0.50

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
SCHEMBL17849583 0.87 MEN1 (0.80) MEN1POLBKMT2ALMNAPKM
SCHEMBL3454686 0.85 MEN1 (0.65) MEN1POLBKMT2ALMNAPKM
SCHEMBL684089 0.84 KMT2A (0.81) MEN1POLBKMT2ALMNAPKM
SCHEMBL678618 0.84 KMT2A (0.81) MEN1POLBKMT2ALMNAPKM
SCHEMBL9851195 0.84 NQO2 (0.70) SNCARAB9AHSD11B1GRM4TOP1
SCHEMBL9318389 0.83 POLB (0.74) MEN1POLBKMT2ALMNAPKM
SCHEMBL10952359 0.83 MEN1 (0.74) MEN1POLBKMT2ALMNAPKM
Hydrochloric Acid SCHEMBL3715110 0.83 ALDH1A1 (0.57) LMNATDP1CA1CA2CA9
SCHEMBL18146755 0.82 MEN1 (0.55) MEN1POLBKMT2ALMNAPKM
SCHEMBL1459180 0.82 MEN1 (0.64) MEN1KMT2A

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-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
EP-2254889-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-12-01 EP disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 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-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 MEN1 3455/4885POLB 2583/4885KMT2A 2055/4885

“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.