SCHEMBL3241002

SCHEMBL3241002

CCCCNC(=O)c1cccnc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.74
HDAC1 Q13547 1/20 0.74
HDAC2 Q92769 1/20 0.74
RAB9A P51151 2/20 0.68
EPHX2 P34913 3/20 0.68
KMT2A Q03164 5/20 0.65
SMN1; SMN2 Q16637 2/20 0.64
THRB P10828 1/20 0.64
MEN1 O00255 3/20 0.64
TDP1 Q9NUW8 1/20 0.64
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
NPC1 O15118 1/20 0.62
KEAP1 Q14145 1/20 0.61
NFE2L2 Q16236 1/20 0.61
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
NAAA Q02083 1/20 0.59
MAPT P10636 1/20 0.58

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
SCHEMBL29708225 1.00 HDAC3 (0.74) HDAC3HDAC1HDAC2RAB9AEPHX2
SCHEMBL2128698 0.95 HDAC3 (0.68) HDAC3HDAC1HDAC2RAB9AEPHX2
SCHEMBL5694314 0.94 NAAA (0.68) HDAC3HDAC1HDAC2RAB9AEPHX2
SCHEMBL11083072 0.94 NAAA (0.68) HDAC3HDAC1HDAC2RAB9AEPHX2
SCHEMBL9763677 0.94 NAAA (0.68) HDAC3HDAC1HDAC2RAB9AEPHX2
SCHEMBL25330125 0.94 NAAA (0.68) HDAC3HDAC1HDAC2RAB9AEPHX2
SCHEMBL2868723 0.94 NAAA (0.68) HDAC3HDAC1HDAC2RAB9AEPHX2
SCHEMBL2356495 0.94 NAAA (0.68) HDAC3HDAC1HDAC2RAB9AEPHX2
SCHEMBL11248504 0.94 NAAA (0.68) HDAC3HDAC1HDAC2RAB9AEPHX2
Bromide SCHEMBL9028287 0.93 NAAA (0.67) HDAC3HDAC1HDAC2RAB9AEPHX2

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-3481383-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LTD (IN) 2023-06-14 EP disclosed
CN-108026157-B Novel insulin derivative and medical use thereof 诺和诺德股份有限公司 2022-11-25 CN disclosed
CN-106459171-B A22K, desB27, B29R, desB30, human insulin analogs acylated at the position of lysine 22 诺和诺德股份有限公司 2020-12-15 CN disclosed
US-20200087338-A1 NUCLEOTIDE AND OLIGONUCLEOTIDE PRODRUGS SPRING BANK PHARMACEUTICALS INC (US) 2020-03-19 US disclosed
WO-2018139876-A1 NOVEL [1,2,4]TRIAZOLO[4, 3-A]QUINOXALINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BET PROTEIN-RELATED DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT 동화약품주식회사 2018-08-02 WO disclosed
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 EP disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US disclosed
WO-2017120355-A1 DIHYDROQUINOLINES AND USES THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2017-07-13 WO disclosed
WO-2016044585-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed
US-4243666-A HYPOTENSIVE AGENTS PFIZER INC. (US) 1981-01-06 US 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 (4 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-20200087338-A1 NUCLEOTIDE AND OLIGONUCLEOTIDE PRODRUGS TYMP, PNP, DUT HDAC3 2571/4885HDAC1 2609/4885HDAC2 3314/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 HDAC3 346/4885HDAC1 326/4885HDAC2 701/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 HDAC3 201/4885HDAC1 90/4885HDAC2 199/4885
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 HDAC3 1139/4885HDAC1 461/4885HDAC2 964/4885

“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.