SCHEMBL1981073

SCHEMBL1981073

CCCCN(C(=O)Nc1ccc(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3C)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ MCHR1 Q99705 1/20 0.41
▸ UBE2M P61081 10/20 0.40
▸ DCUN1D1 Q96GG9 10/20 0.40
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PTBP1 P26599 1/20 0.39
▸ THRB P10828 2/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HTR2A P28223 1/20 0.38

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 SCHEMBL841986 0.99 TP53 (0.42) TP53PPARGPPARDPPARAMCHR1
Hydrochloric Acid SCHEMBL1449403 0.93 MCHR1 (0.45) TP53PPARGPPARDPPARAMCHR1
SCHEMBL1982353 0.93 PPARG (0.42) TP53PPARGPPARDPPARAMCHR1
SCHEMBL1449911 0.92 PPARG (0.46) TP53PPARGPPARDPPARAMCHR1
SCHEMBL30227420 0.92 PPARG (0.46) TP53PPARGPPARDPPARAMCHR1
Hydrochloric Acid SCHEMBL841826 0.92 PPARG (0.42) TP53PPARGPPARDPPARAMCHR1
Hydrochloric Acid SCHEMBL1448789 0.92 PPARG (0.46) TP53PPARGPPARDPPARAMCHR1
SCHEMBL842452 0.89 MCHR1 (0.39) TP53MCHR1UBE2MDCUN1D1LMNA
Hydrochloric Acid SCHEMBL842273 0.89 MCHR1 (0.39) TP53MCHR1UBE2MDCUN1D1LMNA
Hydrochloric Acid SCHEMBL1448932 0.88 TP53 (0.44) TP53MCHR1UBE2MDCUN1D1LMNA

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-8604207-B2 Nitrogenous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-10 — — US claimed
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2013-04-04 — — 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 (2 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 TP53 369/4885PPARG 1090/4885PPARD 1073/4885
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 TP53 369/4885PPARG 1090/4885PPARD 1073/4885

“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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