SCHEMBL1983397

SCHEMBL1983397

CCCCN(C(=O)Nc1cc(C(N)=O)c(F)cc1F)C1CCN(Cc2cnc(Oc3ccc(NS(C)(=O)=O)cc3)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 7/20 0.38
▸ DCUN1D1 Q96GG9 7/20 0.38
▸ MCHR1 Q99705 5/20 0.36
▸ RXRB P28702 5/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PTBP1 P26599 1/20 0.35
▸ GALR3 O60755 1/20 0.34
▸ RAB9A P51151 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 SCHEMBL841051 0.99 UBE2M (0.37) UBE2MDCUN1D1MCHR1RXRBALDH1A1
SCHEMBL1982465 0.92 UBE2M (0.38) UBE2MDCUN1D1MCHR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL841993 0.92 UBE2M (0.38) UBE2MDCUN1D1MCHR1ALDH1A1LMNA
SCHEMBL842640 0.91 GALR3 (0.40) UBE2MDCUN1D1MCHR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL842768 0.90 GALR3 (0.40) UBE2MDCUN1D1MCHR1ALDH1A1LMNA
SCHEMBL2256562 0.90 UBE2M (0.37) UBE2MDCUN1D1MCHR1ALDH1A1LMNA
SCHEMBL1983221 0.90 GALR3 (0.40) UBE2MDCUN1D1MCHR1GALR3RAB9A
SCHEMBL1984868 0.89 GALR3 (0.40) UBE2MDCUN1D1MCHR1GALR3RAB9A
Hydrochloric Acid SCHEMBL843040 0.89 GALR3 (0.40) UBE2MDCUN1D1MCHR1GALR3RAB9A
Hydrochloric Acid SCHEMBL841560 0.89 GALR3 (0.40) UBE2MDCUN1D1MCHR1GALR3RAB9A

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 UBE2M 4238/4885DCUN1D1 3589/4885MCHR1 3486/4885
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 UBE2M 4238/4885DCUN1D1 3589/4885MCHR1 3486/4885

“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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