SCHEMBL1981317

SCHEMBL1981317

CCCCN(C(=O)Nc1ccc(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)nc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.43
▸ PPARA Q07869 3/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ HTR2A P28223 2/20 0.40
▸ THRB P10828 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ UBE2M P61081 3/20 0.38
▸ DCUN1D1 Q96GG9 3/20 0.38
▸ SCN1A P35498 2/20 0.38
▸ SCN8A Q9UQD0 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 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
Hydrochloric Acid SCHEMBL843523 0.99 PPARG (0.43) PPARGPPARAPPARDHTR2ATHRB
SCHEMBL30227420 0.90 PPARG (0.46) PPARGPPARAPPARDHTR2ATHRB
SCHEMBL1449911 0.90 PPARG (0.46) PPARGPPARAPPARDHTR2ATHRB
Hydrochloric Acid SCHEMBL1448789 0.89 PPARG (0.46) PPARGPPARAPPARDHTR2ATHRB
SCHEMBL863266 0.88 GALR3 (0.44) PPARGPPARAPPARDHTR2ATHRB
Hydrochloric Acid SCHEMBL841512 0.88 GALR3 (0.44) PPARGPPARAPPARDHTR2ATHRB
SCHEMBL1986339 0.88 PPARG (0.40) PPARGPPARAPPARDHTR2ATHRB
Hydrochloric Acid SCHEMBL843205 0.87 PPARG (0.40) PPARGPPARAPPARDHTR2ATHRB
Hydrochloric Acid SCHEMBL1448861 0.86 PPARG (0.46) PPARGPPARAPPARDHTR2ATHRB
Hydrochloric Acid SCHEMBL1449842 0.86 GALR3 (0.43) PPARGPPARAPPARDHTR2ATHRB

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-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 PPARG 1090/4885PPARA 1802/4885PPARD 1073/4885
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 PPARG 1090/4885PPARA 1802/4885PPARD 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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