SCHEMBL2333372

SCHEMBL2333372

Cc1cc(F)c2c(c1)CCCN2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ GAA P10253 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ CASP1 P29466 3/20 0.34
▸ CASP7 P55210 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ UHRF1 Q96T88 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PARP10 Q53GL7 1/20 0.32

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
SCHEMBL10912832 0.81 KDM4E (0.41) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL2361634 0.81 PARP1 (0.33) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL10909326 0.78 KDM4E (0.39) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL7224482 0.78 KDM4E (0.42) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL4947965 0.78 KDM4E (0.33) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL1536877 0.78 ALDH1A1 (0.36) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL5321215 0.78 KDM4E (0.39) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL30841789 0.76 PARP1 (0.33) —
SCHEMBL23546707 0.75 KDM4E (0.33) KDM4EALDH1A1GAAHSD17B10CASP1
SCHEMBL22702928 0.74 KDM4E (0.39) KDM4EALDH1A1GAAHSD17B10CASP1

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
US-8309734-B2 Substituted pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2012-11-13 — — US disclosed
EP-2356094-A1 NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS F. Hoffmann-La Roche AG (CH) 2011-08-17 — — EP disclosed
WO-2010049302-A1 NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 — — WO disclosed
US-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-04-29 — — US 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-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES GPBAR1, GPR119, GLP1R KDM4E 4143/4885ALDH1A1 341/4885GAA 1013/4885

“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.

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