Sugi Predict

Sugi Predict / Compounds / SCHEMBL659196

SCHEMBL659196

SCHEMBL659196

COc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ EGFR P00533 4/20 0.45
▸ ERBB2 P04626 4/20 0.45
▸ SLC2A1 P11166 1/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HIF1A Q16665 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ THPO P40225 2/20 0.41
▸ PMP22 Q01453 2/20 0.41
▸ GMNN O75496 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ GABRA1 P14867 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
SCHEMBL11484155 0.87 HPGD (0.56) CA1CA2EGFRERBB2ALDH1A1
SCHEMBL14266222 0.83 CYP1A2 (0.46) ALDH1A1GFERABCB11PTGS1CYP1A2
SCHEMBL3945201 0.81 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL107407 0.79 PRUNE1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL658115 0.79 CA1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL8430455 0.79 EGFR (0.41) EGFRERBB2SLC2A1SMN1; SMN2ALDH1A1
SCHEMBL1573445 0.78 CNR2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL12421704 0.77 EGFR (0.53) EGFRERBB2SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL9822870 0.77 EGFR (0.40) EGFRERBB2SMN1; SMN2ALDH1A1MAPT
SCHEMBL24359339 0.76 CNR2 (0.52) CA12CA1CA2CA7CA9

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2819993-B1 ROS-ACTIVATED COMPOUNDS AS SELECTIVE ANTI-CANCER THERAPEUTICS UNIV CINCINNATI (US) 2020-09-02 — — EP disclosed
US-9394233-B2 ROS-activated compounds as selective anti-cancer therapeutics CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2016-07-19 — — US disclosed
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 — — US disclosed
EP-2819993-A1 ROS-ACTIVATED COMPOUNDS AS SELECTIVE ANTI-CANCER THERAPEUTICS University Of Cincinnati (US) 2015-01-07 — — EP disclosed
EP-2781513-A1 Benzofuran derivatives Takeda Pharmaceutical Company Limited (JP) 2014-09-24 — — EP disclosed
CN-103965147-A Benzofuran derivatives TAKEDA PHARMACEUTICAL 2014-08-06 — — CN disclosed
CN-102421767-B Benzofuran derivatives TAKEDA PHARMACEUTICAL 2014-06-18 — — CN disclosed
EP-2406243-B1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-05-07 — — EP disclosed
US-20130237705-A1 METHOD FOR MANUFACTURE OF 2-OXOIMIDAZOLIDINES PETERSON JOHN R (US) 2013-09-12 — — US disclosed
WO-2013130968-A1 ROS-ACTIVATED COMPOUNDS AS SELECTIVE ANTI-CANCER THERAPEUTICS UNIVERSITY OF CINCINNATI (US) 2013-09-06 — — WO disclosed
US-4861879-A VAGINAL FUNGICIDE JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-29 — — US disclosed
EP-0118138-B1 ((4-(4-(4-PHENYL-1-PIPERAZINYL)PHENOXYMETHYL)-1,3-DIOXOLAN-2-YL)METHYL)-1H-IMIDAZOLES AND 1H-1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 — — EP disclosed
US-4735942-A FUNGICIDE, BACTERICIDE PARTICULARLY FOR UROGENITAL DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 1988-04-05 — — US disclosed
US-4619931-A BACTERICIDES, FUNGICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1986-10-28 — — US disclosed
US-4490530-A ANTIFUNGAL, ANTIBACTERIAL JANSSEN PHARMACEUTICA N.V. (BE) 1984-12-25 — — US disclosed
EP-0118138-A1 ((4-(4-(4-Phenyl-1-piperazinyl)phenoxymethyl)-1,3-dioxolan-2-yl)methyl)-1H-imidazoles and 1H-1,2,4-triazoles JANSSEN PHARMACEUTICA N.V. (BE) 1984-09-12 — — EP disclosed
EP-0006711-B1 HETEROCYCLIC DERIVATIVES OF (4-PHENYLPIPERAZIN-1-YL-ARYLOXYMETHYL-1,3-DIOXOLAN-2-YL)-METHYL-1H-IMIDAZOLES AND 1H-1,2,4-TRIAZOLES, PROCESSES FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-10-26 — — EP disclosed
US-4368200-A BACTERICIDES, FUNGICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-11 — — US disclosed
US-4267179-A AS FUNGICIDES AND BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1981-05-12 — — US disclosed
EP-0006711-A1 Heterocyclic derivatives of (4-phenylpiperazin-1-yl-aryloxymethyl-1,3-dioxolan-2-yl)-methyl-1H-imidazoles and 1H-1,2,4-triazoles, processes for preparing them and compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-09 — — 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-20130237705-A1 METHOD FOR MANUFACTURE OF 2-OXOIMIDAZOLIDINES ODC1, NISCH, IMPDH2 CA12 3154/4885CA1 2898/4885CA2 1617/4885

“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.