SCHEMBL3107202

SCHEMBL3107202

O=C(Cc1ccccc1Cl)c1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.52
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MDM2 Q00987 1/20 0.47
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CTBP2 P56545 1/20 0.42
MAPK14 Q16539 3/20 0.42
CNR2 P34972 1/20 0.41
KCNJ5 P48544 2/20 0.40
KCNJ3 P48549 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
KCNH2 Q12809 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
SCHEMBL8956742 0.84 SHBG (0.54) SHBGALDH1A1MAPK1CES2CES1
SCHEMBL1515773 0.78 CES2 (0.53) ALDH1A1MAPK1CES2CES1TP53
SCHEMBL8956355 0.78 ALDH1A1 (0.54) SHBGALDH1A1MDM2MAPTKDM4E
SCHEMBL29872269 0.78 HPGD (0.46) SHBGALDH1A1MAPK1MAPTKDM4E
SCHEMBL23755069 0.78 HPGD (0.46) SHBGALDH1A1MAPK1MAPTKDM4E
SCHEMBL8984576 0.77 SHBG (0.59) SHBGALDH1A1CES2CES1MAPT
SCHEMBL2724487 0.74 ALDH1A1 (0.56) SHBGALDH1A1MAPK1CES2CES1
SCHEMBL2597507 0.73 CES2 (0.61) ALDH1A1MAPK1CES2CES1
SCHEMBL7263857 0.73 CES2 (0.47) ALDH1A1MAPK1CES2CES1
SCHEMBL3097093 0.72 SMN1; SMN2 (0.49) ALDH1A1MAPK1CES2CES1TP53

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 SHBG 56/4885ALDH1A1 3963/4885MAPK1 567/4885

“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.