Sugi Predict

Sugi Predict / Compounds / SCHEMBL5201104

SCHEMBL5201104

SCHEMBL5201104

CC(=O)N(C1CCCC1)C(c1ccnc(F)c1)C(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.40
▸ POLB P06746 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CES2 O00748 1/20 0.36
▸ PNMT P11086 1/20 0.36
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ TAS1R2 Q8TE23 1/20 0.34
▸ KCNA5 P22460 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTR1E P28566 1/20 0.34
▸ S1PR3 Q99500 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
SCHEMBL5203460 0.76 PNMT (0.40) EPHX1ALDH1A1L3MBTL1CES2PNMT
SCHEMBL5201101 0.73 ALDH1A1 (0.39) EPHX1POLBALDH1A1L3MBTL1CES2
SCHEMBL5760993 0.72 PNMT (0.45) ALDH1A1L3MBTL1CES2PNMTKCNA5
SCHEMBL5206641 0.72 PNMT (0.50) ALDH1A1L3MBTL1CES2PNMTKCNA5
SCHEMBL5761752 0.70 SMN1; SMN2 (0.42) RAB9ACHRM2CHRM4CHRM3SMN1; SMN2
SCHEMBL5761749 0.70 TACR1 (0.38) CHRM4
SCHEMBL7501781 0.69 POLB (0.40) EPHX1POLBRAB9AALDH1A1L3MBTL1
SCHEMBL7502772 0.67 PNMT (0.42) POLBALDH1A1L3MBTL1CES2PNMT
SCHEMBL28620855 0.61 PNMT (0.57) EPHX1ALDH1A1CES2PNMTSLC6A2
SCHEMBL30365820 0.61 PNMT (0.57) EPHX1ALDH1A1CES2PNMTSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109803-B1 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2007-01-10 — — EP disclosed
US-6767908-B2 TREATMENT OF CYTOKINE MEDIATED DISEASES SUCH AS ARTHRITIS. MERCK & CO., INC 2004-07-27 — — US disclosed
EP-1109803-A4 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2002-10-29 — — EP disclosed
US-20020026056-A1 Substituted imidazoles having cytokine inhibitory activity MERCK SHARP & DOHME CORP. 2002-02-28 — — US disclosed
EP-1109803-A1 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 2001-06-27 — — EP disclosed
US-6207687-B1 USEFUL FOR TREATMENT OF CYTOKINE MEDIATED DISEASES SUCH AS ARTHRITIS MERCK & CO., INC. 2001-03-27 — — US disclosed
WO-2000006563-A1 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 2000-02-10 — — WO 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-20020026056-A1 Substituted imidazoles having cytokine inhibitory activity IL1A, IL2, IL1B EPHX1 1222/4885POLB 3716/4885RAB9A 1097/4885

“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.