SCHEMBL658917

SCHEMBL658917

O=C(O)/C=C(/c1ccccc1)c1occ2cc(Cl)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.40
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MAOB P27338 2/20 0.33
KCNMA1 Q12791 1/20 0.33
MCL1 Q07820 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TTR P02766 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 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
SCHEMBL658542 1.00 PDPK1 (0.40) PDPK1MEN1NPC1RAB9AKMT2A
SCHEMBL658543 1.00 PDPK1 (0.40) PDPK1MEN1NPC1RAB9AKMT2A
SCHEMBL658791 0.85 ADORA3 (0.36) MEN1NPC1RAB9AKMT2ACES2
SCHEMBL656594 0.85 ADORA3 (0.36) MEN1NPC1RAB9AKMT2ACES2
SCHEMBL656748 0.85 ADORA3 (0.36) MEN1NPC1RAB9AKMT2ACES2
SCHEMBL6608929 0.77 MCL1 (0.49) MEN1KMT2AMCL1TTRLMNA
SCHEMBL656296 0.74 PDPK1 (0.42) PDPK1MEN1NPC1RAB9AKMT2A
SCHEMBL656299 0.74 PDPK1 (0.42) PDPK1MEN1NPC1RAB9AKMT2A
SCHEMBL656298 0.74 PDPK1 (0.42) PDPK1MEN1NPC1RAB9AKMT2A
Bromomethane SCHEMBL10465375 0.73 MCL1 (0.49) MEN1KMT2AMAOBMCL1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 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 (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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB PDPK1 109/4885MEN1 2058/4885NPC1 2687/4885

“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.