SCHEMBL3101102

SCHEMBL3101102

Cc1oc(-c2ccc(Cl)cc2Cl)cc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.47
MAPK1 P28482 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
BLM P54132 2/20 0.47
ALDH1A1 P00352 9/20 0.42
MAPT P10636 7/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.40
S1PR4 O95977 2/20 0.40
S1PR2 O95136 1/20 0.40
HTT P42858 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
HPGD P15428 7/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL3094113 0.88 NOTUM (0.39) POLBMAPK1NPSR1BLMALDH1A1
SCHEMBL2240830 0.79 NPC1 (0.55) NPSR1ALDH1A1NPC1RAB9AHPGD
SCHEMBL3113402 0.75 SLC9A1 (0.49) ALDH1A1S1PR4CYP1A2
SCHEMBL3218484 0.75 POLB (0.44) POLBMAPK1NPSR1BLMALDH1A1
SCHEMBL14800563 0.74 NPC1 (0.66) POLBMAPK1NPSR1BLMALDH1A1
SCHEMBL13826533 0.72 ALDH1A1 (0.49) POLBMAPK1NPSR1ALDH1A1MAPT
SCHEMBL3106962 0.72 PDE4B (0.40) MEN1KMT2AGAA
SCHEMBL3099668 0.72 MAPK14 (0.38) ALDH1A1KDM4EGAAESR1
SCHEMBL3106840 0.72 TDP1 (0.49) POLBMAPK1NPSR1BLMALDH1A1
SCHEMBL3107351 0.71 MAPT (0.52) POLBMAPK1NPSR1BLMALDH1A1

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 POLB 4758/4885MAPK1 567/4885NPSR1 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.