SCHEMBL3106840

SCHEMBL3106840

Cc1oc(-c2ccc(Cl)cc2Cl)cc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
POLB P06746 6/20 0.47
NPSR1 Q6W5P4 3/20 0.47
BLM P54132 2/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 8/20 0.42
ALDH1A1 P00352 8/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HPGD P15428 4/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MCL1 Q07820 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42

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
SCHEMBL3102519 0.88 NOTUM (0.42) TDP1POLBNPSR1BLMMAPK1
SCHEMBL3100220 0.79 NPC1 (0.55) TDP1ALDH1A1HPGDCYP1A2NPC1
SCHEMBL3104507 0.75 SLC9A1 (0.48) TDP1POLBNPSR1BLMMAPT
SCHEMBL14800563 0.74 NPC1 (0.66) POLBNPSR1BLMMAPK1MAPT
SCHEMBL1728691 0.72 MAPT (0.64) TDP1POLBNPSR1BLMMAPK1
SCHEMBL3104478 0.72 PDE4B (0.40) ALDH1A1MEN1KMT2AKDM4EERN1
SCHEMBL3095434 0.72 SLC9A1 (0.36) ALDH1A1LMNAKDM4EERN1SLC9A1
SCHEMBL3101102 0.72 POLB (0.47) TDP1POLBNPSR1BLMMAPK1
SCHEMBL3107575 0.71 ALDH1A1 (0.46) MAPTALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL3107351 0.71 MAPT (0.52) POLBNPSR1BLMMAPK1MAPT

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-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR TDP1 4801/4885POLB 4758/4885NPSR1 309/4885

“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.