SCHEMBL1986339

SCHEMBL1986339

CCCCN(C(=O)Nc1ccc(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ UBE2M P61081 7/20 0.40
▸ DCUN1D1 Q96GG9 7/20 0.40
▸ POLB P06746 1/20 0.39
▸ MCHR1 Q99705 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PTBP1 P26599 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ THRB P10828 1/20 0.36

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
Hydrochloric Acid SCHEMBL843205 0.99 PPARG (0.40) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL30227420 0.90 PPARG (0.46) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL1449911 0.90 PPARG (0.46) PPARGPPARDPPARAUBE2MDCUN1D1
Hydrochloric Acid SCHEMBL1448789 0.89 PPARG (0.46) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL1982465 0.89 UBE2M (0.38) UBE2MDCUN1D1MCHR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL841993 0.89 UBE2M (0.38) UBE2MDCUN1D1MCHR1ALDH1A1LMNA
SCHEMBL1981317 0.88 PPARG (0.43) PPARGPPARDPPARAUBE2MDCUN1D1
Hydrochloric Acid SCHEMBL1449842 0.87 GALR3 (0.43) PPARGPPARDPPARAUBE2MDCUN1D1
SCHEMBL863266 0.87 GALR3 (0.44) PPARGPPARDPPARAUBE2MDCUN1D1
Hydrochloric Acid SCHEMBL843523 0.87 PPARG (0.43) PPARGPPARDPPARAUBE2MDCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410276-B2 Nitrogenous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-04-02 — — US claimed
EP-2546234-A1 Nitrogeneous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-01-16 — — EP claimed
US-20110152520-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-23 — — US claimed

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-20110152520-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 PPARG 1090/4885PPARD 1073/4885PPARA 1802/4885

“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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