Sugi Predict

Sugi Predict / Compounds / SCHEMBL2250983

SCHEMBL2250983

SCHEMBL2250983

CCCCN(C(=O)Nc1cc(C(N)=O)c(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)nc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 6/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PTBP1 P26599 1/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CDK8 P49336 2/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ UBE2M P61081 9/20 0.37
▸ DCUN1D1 Q96GG9 9/20 0.37
▸ STK25 O00506 1/20 0.33
▸ CIT O14578 1/20 0.33
▸ MAP2K7 O14733 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ GAK O14976 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ MUSK O15146 1/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ MAP3K13 O43283 1/20 0.33
▸ DAPK3 O43293 1/20 0.33

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
SCHEMBL4094280 0.93 CDK2 (0.37) MCHR1ALDH1A1LMNAPTBP1CDK2
SCHEMBL843230 0.93 CDK2 (0.37) MCHR1ALDH1A1LMNAPTBP1CDK2
Hydrochloric Acid SCHEMBL842371 0.93 CDK2 (0.37) MCHR1ALDH1A1LMNAPTBP1CDK2
SCHEMBL2250085 0.93 UBE2M (0.38) MCHR1ALDH1A1LMNAPTBP1CDK2
Hydrochloric Acid SCHEMBL842650 0.93 CDK2 (0.37) MCHR1ALDH1A1LMNAPTBP1CDK2
SCHEMBL2254214 0.92 CDK2 (0.36) MCHR1ALDH1A1LMNAPTBP1CDK2
SCHEMBL2256696 0.92 UBE2M (0.39) MCHR1ALDH1A1LMNAPTBP1CDK2
SCHEMBL2255260 0.92 CDK2 (0.36) MCHR1ALDH1A1LMNAPTBP1CDK2
SCHEMBL2253885 0.92 CDK2 (0.37) MCHR1ALDH1A1LMNAPTBP1CDK2
SCHEMBL2252443 0.90 UBE2M (0.37) MCHR1ALDH1A1LMNAPTBP1CDK2

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-8003642-B2 Nitrogenated heterocyclic derivative, and pharmaceutical agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-08-23 — — US claimed
US-8003642-B2 Nitrogenated heterocyclic derivative, and pharmaceutical agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-08-23 — — US disclosed
US-20090131403-A1 NITROGENATED HETEROCYCLIC DERIVATIVE , AND PHARMACEUTICAL AGENT COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2009-05-21 — — US disclosed
EP-1995246-A1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND PHARMACEUTICAL AGENT COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2008-11-26 — — 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-20090131403-A1 NITROGENATED HETEROCYCLIC DERIVATIVE , AND PHARMACEUTICAL AGENT COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT CXCR3, CCR5, HLA-DRB1 MCHR1 3949/4885ALDH1A1 1054/4885LMNA 4860/4885

“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.