SCHEMBL1983523

SCHEMBL1983523

CCCCN(C(=O)Nc1ccc(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(S(=O)(=O)NCCO)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.46
PPARA Q07869 3/20 0.46
PPARD Q03181 1/20 0.46
POLB P06746 3/20 0.40
RAB9A P51151 1/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
UBE2M P61081 5/20 0.39
DCUN1D1 Q96GG9 5/20 0.39
HTR2A P28223 2/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNH2 Q12809 1/20 0.38
GPR119 Q8TDV5 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 SCHEMBL842208 0.99 PPARG (0.46) PPARGPPARAPPARDPOLBRAB9A
SCHEMBL1981560 0.94 PPARG (0.46) PPARGPPARAPPARDPOLBRAB9A
SCHEMBL1982411 0.93 PPARG (0.45) PPARGPPARAPPARDPOLBTHRB
Hydrochloric Acid SCHEMBL842275 0.93 PPARG (0.45) PPARGPPARAPPARDPOLBRAB9A
Hydrochloric Acid SCHEMBL843531 0.92 PPARG (0.44) PPARGPPARAPPARDPOLBTHRB
SCHEMBL1980528 0.92 PPARG (0.47) PPARGPPARAPPARDTHRBLMNA
Hydrochloric Acid SCHEMBL842269 0.91 PPARG (0.46) PPARGPPARAPPARDTHRBLMNA
Hydrochloric Acid SCHEMBL1449585 0.88 PPARG (0.46) PPARGPPARAPPARDTHRBUBE2M
SCHEMBL1981970 0.88 PPARG (0.46) PPARGPPARAPPARDTHRBALDH1A1
Hydrochloric Acid SCHEMBL841980 0.88 PPARG (0.46) PPARGPPARAPPARDTHRBALDH1A1

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 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.