SCHEMBL118684

SCHEMBL118684

O=C(O)c1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 2/20 0.67
CREBBP Q92793 1/20 0.67
SMYD3 Q9H7B4 1/20 0.57
NOS1 P29475 2/20 0.56
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
OGT O15294 1/20 0.48
ESR1 P03372 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
NR3C2 P08235 1/20 0.46
KMO O15229 1/20 0.46
PSMB8 P28062 1/20 0.45
TTR P02766 2/20 0.45
ENPP2 Q13822 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL29771053 1.00 KDM4E (0.67) KDM4EALDH1A1CREBBPSMYD3NOS1
SCHEMBL2946079 0.87 PDE3B (0.63) KDM4EALDH1A1CREBBPSMYD3NOS1
SCHEMBL1421351 0.86 NOS1 (0.56) KDM4EALDH1A1CREBBPSMYD3NOS1
SCHEMBL2316982 0.84 KDM4E (0.69) KDM4EALDH1A1CREBBPSMYD3NOS1
SCHEMBL349741 0.84 CREBBP (0.65) KDM4EALDH1A1CREBBPSMYD3NOS1
SCHEMBL2546849 0.84 CREBBP (0.69) KDM4EALDH1A1CREBBPSMYD3NOS1
SCHEMBL6992123 0.84 CREBBP (0.65) KDM4EALDH1A1CREBBPSMYD3NOS1
SCHEMBL6992124 0.84 CREBBP (0.60) KDM4EALDH1A1CREBBPSMYD3NOS1
SCHEMBL13146791 0.84 CREBBP (0.60) KDM4EALDH1A1CREBBPSMYD3NOS1
SCHEMBL6647933 0.83 ALDH1A1 (0.60) KDM4EALDH1A1CREBBPSMYD3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US claimed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US claimed
CN-1759095-A N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARM INC (US) 2006-04-12 CN claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
EP-3856178-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-03-11 EP disclosed
US-12528797-B2 Heterocyclic compounds for medical treatment C4 THERAPEUTICS, INC. 2026-01-20 US disclosed
US-12391690-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LIGACHEM BIOSCIENCES INC. (KR) 2025-08-19 US disclosed
CN-114585360-B Methods of using the same for treating epilepsy 特维娜有限公司 2025-04-29 CN disclosed
EP-4470618-A2 HETEROCYCLIC COMPOUNDS FOR MEDICAL TREATMENT C4 Therapeutics, Inc. (US) 2024-12-04 EP disclosed
EP-1716100-A2 THERAPEUTIC AMIDE DERIVATIVES Pfizer, Inc. (US) 2006-11-02 EP disclosed
WO-2006010966-A1 NEW BENZOYL UREA DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-02-02 WO disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 WO disclosed
US-6642256-B2 Brain disorders, psychological disorders, antiischemic agents, central nervous system disorders WARNER-LAMBERT COMPANY LLC 2003-11-04 US disclosed
EP-1345935-A2 PIPERIDINE DERIVATIVES AS SUBTYPE SELECTIVE N-METHYL-D-ASPARTATE ANTAGONISTS Warner-Lambert Company LLC (US) 2003-09-24 EP disclosed
US-20030018021-A1 Piperidine derivatives as subtype selective N-methyl-D-aspartate antagonists KORNBERG BRIAN EDWARD (US) 2003-01-23 US disclosed
WO-2002050070-A2 PIPERIDINE DERIVATIVES AS SUBTYPE SELECTIVE N-METHYL-D-ASPARTATE ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-06-27 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 (6 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-12528797-B2 Heterocyclic compounds for medical treatment CRBN, CUL2, ADRM1 KDM4E 1402/4885ALDH1A1 2849/4885CREBBP 411/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH KDM4E 3565/4885ALDH1A1 587/4885CREBBP 2825/4885
US-12391690-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 KDM4E 3095/4885ALDH1A1 4207/4885CREBBP 3867/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 KDM4E 4309/4885ALDH1A1 527/4885CREBBP 2749/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP KDM4E 4082/4885ALDH1A1 2133/4885CREBBP 898/4885
US-20030018021-A1 Piperidine derivatives as subtype selective N-methyl-D-aspartate antagonists GRIN1, OPRD1, OPRM1 KDM4E 2119/4885ALDH1A1 445/4885CREBBP 1115/4885

“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.