SCHEMBL1985678

SCHEMBL1985678

CCCCN(C(=O)Nc1cc(C(N)=O)c(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(N(CC(=O)OC)S(C)(=O)=O)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.38
UBE2M P61081 6/20 0.37
DCUN1D1 Q96GG9 6/20 0.37
PPARG P37231 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
HTT P42858 2/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
THRB P10828 1/20 0.35
RAB9A P51151 1/20 0.34
PTBP1 P26599 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LTA4H P09960 1/20 0.34

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 SCHEMBL841519 0.99 PTPN1 (0.37) PTPN1UBE2MDCUN1D1PPARGNR2E3
SCHEMBL1981677 0.94 SMN1; SMN2 (0.39) UBE2MDCUN1D1PPARGNR2E3NCOR2
SCHEMBL1980450 0.90 UBE2M (0.39) UBE2MDCUN1D1ALDH1A1LMNATHRB
SCHEMBL1981271 0.89 PPARG (0.43) PTPN1UBE2MDCUN1D1PPARGHTT
Hydrochloric Acid SCHEMBL843045 0.89 UBE2M (0.38) UBE2MDCUN1D1ALDH1A1LMNATHRB
Hydrochloric Acid SCHEMBL842280 0.89 PPARG (0.43) PTPN1UBE2MDCUN1D1PPARGHTT
SCHEMBL841754 0.88 KCNH2 (0.44) UBE2MDCUN1D1ALDH1A1LMNATHRB
Hydrochloric Acid SCHEMBL842367 0.87 KCNH2 (0.43) UBE2MDCUN1D1THRB
SCHEMBL1448587 0.86 CCR5 (0.41) UBE2MDCUN1D1ALDH1A1LMNAPTBP1
SCHEMBL30227264 0.86 CCR5 (0.41) UBE2MDCUN1D1ALDH1A1LMNAPTBP1

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 PTPN1 950/4885UBE2M 4238/4885DCUN1D1 3589/4885
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 PTPN1 950/4885UBE2M 4238/4885DCUN1D1 3589/4885

“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.