SCHEMBL4924535

SCHEMBL4924535

Cc1c(C(=O)O)cc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1OCCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 11/20 0.46
▸ CNR1 P21554 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CHRNA7 P36544 1/20 0.40
▸ MARS1 P56192 1/20 0.40
▸ MRGPRX4 Q96LA9 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MYC P01106 1/20 0.37
▸ NR4A1 P22736 1/20 0.37

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
SCHEMBL4914787 0.91 MAPT (0.48) NOTUMCNR1ALDH1A1HPGDMAPK1
SCHEMBL4923406 0.86 CNR1 (0.57) CNR1
SCHEMBL14270597 0.83 CNR1 (0.56) NOTUMCNR1CHRNA7MARS1
SCHEMBL5922313 0.76 CHRNA7 (0.56) NOTUMALDH1A1HPGDMAPK1TDP1
SCHEMBL4244093 0.76 CNR1 (0.55) CNR1CHRNA7
SCHEMBL4244095 0.75 CNR1 (0.52) CNR1CHRNA7
SCHEMBL14270596 0.74 CNR1 (0.53) CNR1ALDH1A1MAPK1CHRNA7NPC1
SCHEMBL4465707 0.72 NOTUM (0.63) NOTUMCNR1ALDH1A1HPGDMAPK1
SCHEMBL14270595 0.70 CNR1 (0.74) CNR1
SCHEMBL5922340 0.69 CHRNA7 (0.54) NOTUMCNR1ALDH1A1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051433-A1 Pyrrole-3-Carboxamide Derivatives for the Treatment of Obesity ASTRAZENECA (SE) 2008-02-28 — — 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-20080051433-A1 Pyrrole-3-Carboxamide Derivatives for the Treatment of Obesity PC, GPR119, PGC NOTUM 544/4885CNR1 143/4885ALDH1A1 612/4885

“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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