SCHEMBL5455910

SCHEMBL5455910

COC(=O)c1ccc(CO)c(N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.62
ALDH1A1 P00352 8/20 0.62
MAPT P10636 8/20 0.62
HPGD P15428 6/20 0.62
GAA P10253 4/20 0.62
HSD17B10 Q99714 3/20 0.62
GLA P06280 1/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
ATM Q13315 1/20 0.62
USP2 O75604 1/20 0.53
NPC1 O15118 4/20 0.50
RAB9A P51151 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 2/20 0.49
ALOX15 P16050 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL12693538 0.89 KDM4E (0.66) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL15862062 0.86 KDM4E (0.62) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL11326977 0.86 MAPT (0.57) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL12788047 0.84 CA1 (0.53) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL20594386 0.83 MAPT (0.58) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6299259 0.83 KDM4E (0.58) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL27862364 0.83 KDM4E (0.58) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL13841059 0.82 KDM4E (0.57) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL543687 0.81 KDM4E (0.55) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL30204346 0.81 KDM4E (0.55) KDM4EALDH1A1MAPTHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239926-A TLR7 and 8 inhibitors, preparation method and application thereof 上海深势唯思科技有限责任公司 2024-06-25 CN disclosed
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2023-12-21 US disclosed
US-11655269-B2 Prodrug-type anticancer agent using cancer-specific enzymatic activity THE UNIVERSITY OF TOKYO (JP) 2023-05-23 US disclosed
US-11414392-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO HEALTH, INC. (US) 2022-08-16 US disclosed
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2021-05-13 US disclosed
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2021-05-13 US disclosed
EP-3344600-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-02-24 EP disclosed
US-20200399305-A1 PRODRUG-TYPE ANTICANCER AGENT USING CANCER-SPECIFIC ENZYMATIC ACTIVITY THE UNIVERSITY OF TOKYO (JP) 2020-12-24 US disclosed
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 US disclosed
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 US disclosed
US-20170064961-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 US disclosed
WO-2017040963-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-03-09 WO disclosed
WO-2017040963-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-03-09 WO disclosed
US-20070032518-A1 Compounds and methods of use AMGEN INC. (US) 2007-02-08 US disclosed
EP-1478645-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS Amgen Inc. (US) 2004-11-24 EP disclosed
US-6822097-B1 THIAZOLE-SUBSTITUTED QUINOLINE DERIVATIVES; ANTICARCINOGENIC AGENTS, ANTISTROKE AGENTS; APOPTOSIS AND CELL PROLIFERATION TREATMENT; NERVOUS SYSTEM DISORDERS AMGEN, INC. 2004-11-23 US disclosed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 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 (9 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-11655269-B2 Prodrug-type anticancer agent using cancer-specific enzymatic activity GUSB, NTPCR, FOLH1 KDM4E 2258/4885ALDH1A1 168/4885MAPT 4611/4885
US-20170064961-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD KDM4E 1609/4885ALDH1A1 443/4885MAPT 3431/4885
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 KDM4E 192/4885ALDH1A1 1338/4885MAPT 135/4885
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 KDM4E 192/4885ALDH1A1 1338/4885MAPT 135/4885
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 KDM4E 192/4885ALDH1A1 1338/4885MAPT 135/4885
US-20070032518-A1 Compounds and methods of use BAX, BAD, CASP3 KDM4E 2614/4885ALDH1A1 282/4885MAPT 1974/4885
US-11414392-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 KDM4E 192/4885ALDH1A1 1338/4885MAPT 135/4885
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC1, HDAC2 KDM4E 215/4885ALDH1A1 1573/4885MAPT 2104/4885
US-20200399305-A1 PRODRUG-TYPE ANTICANCER AGENT USING CANCER-SPECIFIC ENZYMATIC ACTIVITY GUSB, NTPCR, FOLH1 KDM4E 2258/4885ALDH1A1 168/4885MAPT 4611/4885

“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.