SCHEMBL126159

SCHEMBL126159

Cc1cccc(NC(=O)C(C)(C)C)n1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.68
GRM5 P41594 7/20 0.60
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
GBA1 P04062 5/20 0.57
NPC1 O15118 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 2/20 0.55
MAPT P10636 1/20 0.55
POLB P06746 1/20 0.53

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
SCHEMBL30485981 1.00 RAB9A (0.68) RAB9AGRM5MEN1KMT2AGBA1
SCHEMBL921576 0.89 L3MBTL1 (0.54) RAB9AMEN1KMT2ASMN1; SMN2POLB
SCHEMBL1021638 0.84 RAB9A (0.66) RAB9AGRM5MEN1KMT2AGBA1
SCHEMBL13489802 0.82 ADORA1 (0.48) RAB9AMEN1KMT2ASMN1; SMN2POLB
SCHEMBL19718960 0.82 ADORA1 (0.48) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL3119185 0.81 RAB9A (0.78) RAB9AGRM5MEN1KMT2AGBA1
SCHEMBL31725239 0.81 RAB9A (0.78) RAB9AGRM5MEN1KMT2AGBA1
SCHEMBL14353530 0.81 RAB9A (1.00) RAB9AGRM5MEN1KMT2AGBA1
SCHEMBL968790 0.81 GRM5 (0.51) RAB9AGRM5MEN1KMT2AGBA1
SCHEMBL3211414 0.81 XIAP (0.59) RAB9AGRM5MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111349121-A Cobalt carbonyl complex and preparation method thereof 中国人民解放军国防科技大学 2020-06-30 CN claimed
CN-116462661-A Deuterated 3- (pyridin-4-yl) propionic acid compound, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-07-21 CN disclosed
WO-2021001350-A1 2,2-DIMETHYL-N-[6-(1-METHYL-PIPERIDIN-4-CARBONYL)-PYRIDIN-2-YL]-PROPIONAMIDE, METHOD FOR PREPARING (6-AMINO-PYRIDIN-2-YL)-(1-METHYL-PIPERIDIN-4-YL)-METHANONE USING SAID COMPOUND, AND USE OF SAID COMPOUND IN THE PREPARATION OF LASMIDITAN MOEHS IBERICA, S.L. (ES) 2021-01-07 WO disclosed
CN-111349121-A Cobalt carbonyl complex and preparation method thereof 中国人民解放军国防科技大学 2020-06-30 CN disclosed
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
EP-1303483-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-04-23 EP disclosed
WO-2002016318-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 WO disclosed
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US disclosed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US disclosed
US-5716964-A BRAIN DISORDERS; ANTIISCHEMIC AGENTS G.D. SEARLE & CO. (US) 1998-02-10 US disclosed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO disclosed
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP disclosed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO disclosed
US-4772619-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1988-09-20 US disclosed
US-4687775-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1987-08-18 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 (2 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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 RAB9A 486/4885GRM5 4551/4885MEN1 4836/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR RAB9A 4069/4885GRM5 1220/4885MEN1 4876/4885

“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.