SCHEMBL1449683

SCHEMBL1449683

CCCCN(C(=O)Nc1ccccc1C(F)(F)F)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 5/20 0.49
▸ DCUN1D1 Q96GG9 5/20 0.49
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ LTA4H P09960 2/20 0.44
▸ CCR5 P51681 4/20 0.43
▸ PKM P14618 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PTBP1 P26599 1/20 0.43
▸ CHRM4 P08173 1/20 0.42

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 SCHEMBL1450268 0.91 LTA4H (0.46) UBE2MDCUN1D1LMNALTA4HCCR5
Hydrochloric Acid SCHEMBL1449383 0.91 CCR5 (0.45) UBE2MDCUN1D1LMNALTA4HCCR5
Hydrochloric Acid SCHEMBL1449302 0.90 UBE2M (0.49) UBE2MDCUN1D1LMNALTA4HCCR5
Hydrochloric Acid SCHEMBL1450198 0.90 LTA4H (0.44) UBE2MDCUN1D1LMNALTA4HCCR5
Hydrochloric Acid SCHEMBL1449400 0.90 UBE2M (0.49) UBE2MDCUN1D1LMNALTA4HCCR5
Hydrochloric Acid SCHEMBL1449771 0.90 LTA4H (0.44) UBE2MDCUN1D1LMNALTA4HCCR5
Hydrochloric Acid SCHEMBL1450161 0.89 LMNA (0.52) UBE2MDCUN1D1LMNALTA4HCCR5
SCHEMBL1449549 0.89 LTA4H (0.43) UBE2MDCUN1D1LMNALTA4HCCR5
Hydrochloric Acid SCHEMBL1448845 0.89 LTA4H (0.47) UBE2MDCUN1D1LMNALTA4HCCR5
Hydrochloric Acid SCHEMBL1448692 0.88 LTA4H (0.51) UBE2MDCUN1D1LMNALTA4HCCR5

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-7910741-B2 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 — — US disclosed
US-20060178399-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-10 — — US disclosed
EP-1604981-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-14 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060178399-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient HLA-DRB1, ELANE, MMP8 UBE2M 3256/4885DCUN1D1 3114/4885LMNA 4835/4885

“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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