SCHEMBL7048544

SCHEMBL7048544

COc1cc(Cl)nc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
NQO1 P15559 1/20 0.46
ALDH1A1 P00352 7/20 0.46
MAPT P10636 6/20 0.46
HPGD P15428 5/20 0.46
GAA P10253 3/20 0.42
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGDS O60760 1/20 0.39
POLB P06746 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PTBP1 P26599 1/20 0.38
HSP90AA1 P07900 2/20 0.37

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
SCHEMBL7426499 0.86 NQO1 (0.53) KDM4ENQO1ALDH1A1MAPTHPGD
SCHEMBL29333346 0.82 KDM4E (0.39) KDM4ENQO1ALDH1A1MAPTHPGD
SCHEMBL19697680 0.80 ALDH1A1 (0.50) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL901928 0.79 ALDH1A1 (0.53) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL7227326 0.78 TSHR (0.49) KDM4ENQO1ALDH1A1MAPTHPGD
SCHEMBL2088644 0.77 NQO1 (0.46) KDM4ENQO1ALDH1A1MAPTHPGD
SCHEMBL26986651 0.77 NQO1 (0.46) KDM4ENQO1ALDH1A1MAPTHPGD
SCHEMBL30938605 0.75 SMN1; SMN2 (0.51) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL19697639 0.75 SMN1; SMN2 (0.51) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL1162976 0.74 KDM4E (0.38) KDM4ENQO1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240076291-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-03-07 US disclosed
WO-2022115301-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-06-02 WO disclosed
EP-0949248-B1 6-(NONSUBSTITUTED OR SUBSTITUTED) PHENOXYPICOLINIC ACIDS, PROCESS OF PREPARING THE SAME, AND AGRICULTURAL/HORTICULTURAL GERMICIDES CONTAINING THE SAME KUREHA CHEMICAL IND CO LTD (JP) 2003-10-08 EP disclosed
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
US-6200933-B1 LOW TOXICITY TO HUMANS AND CATTLE KUREHA KAGAKU KABUSHIKI KAISHA (JP) 2001-03-13 US disclosed
US-6159901-A 6-phenoxy picolinic acid alkylidene hydrazide derivative, process for producing the same and herbicide using the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-12-12 US disclosed
EP-1020444-A1 6-PHENOXYPICOLINIC ACID, ALKYLIDENEHYDRAZIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND HERBICIDE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-07-19 EP disclosed
EP-0949248-A1 6-(NONSUBSTITUTED OR SUBSTITUTED) PHENOXYPICOLINIC ACIDS, PROCESS OF PREPARING THE SAME, AND AGRICULTURAL/HORTICULTURAL GERMICIDES CONTAINING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-10-13 EP disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 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-20240076291-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, ASAH2 KDM4E 4229/4885NQO1 291/4885ALDH1A1 1174/4885

“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.