SCHEMBL1980450

SCHEMBL1980450

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 10/20 0.39
DCUN1D1 Q96GG9 10/20 0.39
THRB P10828 1/20 0.38
LMNA P02545 4/20 0.36
ALDH1A1 P00352 1/20 0.36
PTBP1 P26599 1/20 0.36
LTA4H P09960 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA1A P35348 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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 SCHEMBL843045 0.99 UBE2M (0.38) UBE2MDCUN1D1THRBLMNAALDH1A1
SCHEMBL841754 0.91 KCNH2 (0.44) UBE2MDCUN1D1THRBLMNAALDH1A1
SCHEMBL1981677 0.90 SMN1; SMN2 (0.39) UBE2MDCUN1D1THRBLMNAALDH1A1
Hydrochloric Acid SCHEMBL842367 0.90 KCNH2 (0.43) UBE2MDCUN1D1THRB
SCHEMBL1985678 0.90 PTPN1 (0.38) UBE2MDCUN1D1THRBLMNAALDH1A1
SCHEMBL1982419 0.89 MCHR1 (0.39) UBE2MDCUN1D1THRBLMNAALDH1A1
SCHEMBL30227264 0.89 CCR5 (0.41) UBE2MDCUN1D1LMNAALDH1A1PTBP1
SCHEMBL1448587 0.89 CCR5 (0.41) UBE2MDCUN1D1LMNAALDH1A1PTBP1
Hydrochloric Acid SCHEMBL841519 0.89 PTPN1 (0.37) UBE2MDCUN1D1THRBLMNAALDH1A1
SCHEMBL1979727 0.89 UBE2M (0.40) UBE2MDCUN1D1THRBLMNAALDH1A1

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 UBE2M 4238/4885DCUN1D1 3589/4885THRB 3102/4885
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 UBE2M 4238/4885DCUN1D1 3589/4885THRB 3102/4885

“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.