Sugi Predict

Sugi Predict / Compounds / SCHEMBL38236

SCHEMBL38236

SCHEMBL38236

O=c1[nH]c(=O)c2[c]cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.48
▸ PARP1 P09874 2/20 0.48
▸ CA12 O43570 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ PDE3B Q13370 2/20 0.38
▸ PDE3A Q14432 2/20 0.38
▸ ALDH1A1 P00352 6/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ BLM P54132 2/20 0.32
▸ PMP22 Q01453 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL2388664 0.75 ALDH1A1 (0.39) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3015544 0.75 ALOX5 (0.45) KDM4EPARP1GRIN2DGRIN3BGRIN1
SCHEMBL790633 0.75 KDM4E (0.42) KDM4EPARP1CA12CA9GRIN2D
SCHEMBL29196071 0.69 ALDH1A1 (0.61) KDM4EPARP1CA12CA9ALDH1A1
SCHEMBL16110565 0.68 PARP1 (0.48) KDM4EPARP1CA12CA9ALDH1A1
SCHEMBL4558727 0.67 KDM4E (0.67) KDM4EPARP1CA12CA9GRIN2D
SCHEMBL29367508 0.67 KDM4E (0.67) KDM4EPARP1CA12CA9GRIN2D
SCHEMBL37951 0.67 KDM4E (0.67) KDM4EPARP1CA12CA9GRIN2D
SCHEMBL24817 0.67 ALDH1A1 (0.54) KDM4EPARP1CA12CA9ALDH1A1
SCHEMBL6313741 0.67 GRIN2D (0.52) KDM4EPARP1CA12CA9GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024123700-A1 HISTONE DEACETYLASE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2024-06-13 — — WO claimed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 — — US claimed
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 — — US claimed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 — — US claimed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 — — US claimed
EP-3873605-A1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-09-08 — — EP claimed
EP-3873897-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-09-08 — — EP claimed
EP-3873900-A1 IMIDAZOPYRIDINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. (US) 2021-09-08 — — EP claimed
EP-3873884-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. (US) 2021-09-08 — — EP claimed
EP-3860717-A1 IMIDOZOPYRIMIDINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2021-08-11 — — EP claimed
US-6566519-B2 Reacting succinic diester with nitrile CLARIANT INTERNATIONAL LTD. (CH) 2003-05-20 — — US claimed
US-20020010331-A1 Reacting succinic diester with nitrile CLARIANT GMBH 2002-01-24 — — US claimed
EP-1162240-A2 Process to manufacture diketopyrrolopyrrole pigments Clariant International Ltd. (CH) 2001-12-12 — — EP claimed
WO-2001092420-A2 PERYLENE DYES WITH PERSISTENT FLUORESCENCE CAUSED BY STERIC INHIBITION OF AGGREGATION RADIANT COLOR N.V. (BE) 2001-12-06 — — WO claimed
US-5801181-A Amino alcohol substituted cyclic compounds CELL THERAPEUTICS, INC. (US) 1998-09-01 — — US claimed
US-5258511-A Pyrazoloazepinones and methods of using such pyrazoloazepinones to dye synthetic fibers and to pigment pastes, paints, printing inks, colored paper and colored macromolecular substances BAYER AKTIENGESELLSCHAFT (DE) 1993-11-02 — — US claimed
EP-0479843-A1 BIPYRIDYLES, PROCESS FOR MAKING THEM AND THEIR USE RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1992-04-15 — — EP claimed
EP-0446748-A2 Use of perylenedyes for the preparation of write, print or copying materials RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1991-09-18 — — EP claimed
WO-1991000276-A1 BIPYRIDYLES, PROCESS FOR MAKING THEM AND THEIR USE RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1991-01-10 — — WO claimed
EP-0358148-A2 Solid solutions of azomethine pigments CIBA-GEIGY AG (CH) 1990-03-14 — — EP claimed

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

For each of this compound's patents that has machine-readable text (5 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-20020010331-A1 Reacting succinic diester with nitrile SDHA, QDPR, SDHB KDM4E 2341/4885PARP1 1720/4885CA12 1514/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 KDM4E 1209/4885PARP1 2857/4885CA12 3171/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 KDM4E 1442/4885PARP1 2731/4885CA12 2740/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B KDM4E 1390/4885PARP1 1472/4885CA12 3790/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR KDM4E 2655/4885PARP1 1248/4885CA12 3538/4885

“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.