SCHEMBL1449925

SCHEMBL1449925

CCCCN(C(=O)Nc1ccc(C)nc1)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PTBP1 P26599 1/20 0.45
▸ CCR5 P51681 4/20 0.43
▸ UBE2M P61081 3/20 0.42
▸ DCUN1D1 Q96GG9 3/20 0.42
▸ LTA4H P09960 1/20 0.41

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 SCHEMBL1449462 0.99 ALDH1A1 (0.45) ALDH1A1LMNAPTBP1CCR5UBE2M
SCHEMBL2256049 0.93 GALR3 (0.43) ALDH1A1LMNAPTBP1CCR5UBE2M
Hydrochloric Acid SCHEMBL1450380 0.90 ALDH1A1 (0.53) ALDH1A1LMNAPTBP1CCR5UBE2M
Hydrochloric Acid SCHEMBL1449157 0.89 UBE2M (0.45) ALDH1A1LMNAPTBP1CCR5UBE2M
SCHEMBL12169911 0.89 ALDH1A1 (0.47) ALDH1A1LMNAPTBP1CCR5UBE2M
Hydrochloric Acid SCHEMBL1448820 0.89 ALDH1A1 (0.50) ALDH1A1LMNAPTBP1CCR5UBE2M
Hydrochloric Acid SCHEMBL1449651 0.89 LTA4H (0.40) LMNACCR5UBE2MDCUN1D1LTA4H
Hydrochloric Acid SCHEMBL1448825 0.88 ALDH1A1 (0.45) ALDH1A1LMNAPTBP1CCR5UBE2M
Hydrochloric Acid SCHEMBL1449506 0.88 ALDH1A1 (0.46) ALDH1A1LMNAPTBP1CCR5UBE2M
SCHEMBL1449871 0.88 ALDH1A1 (0.46) ALDH1A1LMNAPTBP1CCR5UBE2M

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385040-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO Pharmaceutical Co., Ltd. (JP) 2011-11-09 — — EP claimed
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 claimed
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 claimed
EP-4143235-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION IncellDx, Inc. (US) 2023-03-08 — — EP disclosed
WO-2021222069-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION INCELLDX, INC. (US) 2021-11-04 — — WO disclosed
EP-2385040-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO Pharmaceutical Co., Ltd. (JP) 2011-11-09 — — EP disclosed
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-20070270429-A1 Function Inhibitor of Effector Cell ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 — — 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-1623721-A1 EFFECTOR CELL FUNCTION INHIBITOR ONO PHARMACEUTICAL CO., LTD. (JP) 2006-02-08 — — EP 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 (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-20060178399-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient HLA-DRB1, ELANE, MMP8 ALDH1A1 1160/4885LMNA 4835/4885PTBP1 2606/4885
US-20070270429-A1 Function Inhibitor of Effector Cell CCR5, CXCR3, CCR1 ALDH1A1 786/4885LMNA 4831/4885PTBP1 4355/4885

“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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