SCHEMBL1978610

SCHEMBL1978610

NC(=O)c1ccc(C(=O)O)nc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 11/20 0.73
P4HA1 P13674 1/20 0.73
MIF P14174 1/20 0.73
KDM4E B2RXH2 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MAPK1 P28482 1/20 0.59
NNMT P40261 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 1/20 0.53
GRM5 P41594 1/20 0.49
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48

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
SCHEMBL978974 0.87 NNMT (0.63) P4HTMP4HA1MIFKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL6485765 0.85 NNMT (0.61) P4HTMP4HA1MIFKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL7702795 0.85 NNMT (0.61) P4HTMP4HA1MIFKDM4EL3MBTL1
Pyridine-2,5-Dicarboxylic Acid SCHEMBL70231 0.85 P4HTM (1.00) P4HTMP4HA1MIFKDM4EL3MBTL1
Pyridine-2,5-Dicarboxylic Acid SCHEMBL29363410 0.85 P4HTM (1.00) P4HTMP4HA1MIFKDM4EL3MBTL1
SCHEMBL21238355 0.84 P4HTM (0.68) P4HTMP4HA1MIFKDM4EL3MBTL1
SCHEMBL10322694 0.84 P4HTM (0.68) P4HTMP4HA1MIFKDM4EL3MBTL1
SCHEMBL9118358 0.83 P4HTM (0.73) P4HTMP4HA1MIFKDM4EL3MBTL1
Pyridine-2,5-Dicarboxylic Acid SCHEMBL9341728 0.83 P4HTM (0.95) P4HTMP4HA1MIFKDM4EL3MBTL1
Pyridine-2,5-Dicarboxylic Acid SCHEMBL11489139 0.83 P4HTM (0.95) P4HTMP4HA1MIFKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563244-B Substituted aza five-membered ring compound and application thereof in medicine 广东东阳光药业股份有限公司 2025-01-10 CN disclosed
CN-116354931-A Substituted oxazole derivative and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 CN disclosed
CN-116354992-A PDE4 inhibitor and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 CN disclosed
CN-113563244-A Substituted aza five-membered ring compound and application thereof in medicine 广东东阳光药业有限公司 2021-10-29 CN disclosed
US-20140329854-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL IN SIRTUIN BINDING AND MODULATION SMB INNOVATION (US) 2014-11-06 US disclosed
US-20140329854-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL IN SIRTUIN BINDING AND MODULATION SMB INNOVATION (US) 2014-11-06 US disclosed
US-8389513-B2 2-amino-5,5-difluoro-5,6-dihydro-4H-[1,3]oxazin-4-yl)-phenyl]-amides HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
EP-2509965-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
WO-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
WO-2001009124-A1 8-CARBONYL CHROMAN DERIVATIVES, PREPARATION AND THERAPIC USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed
US-5420145-A Antileukemia Shudo, Koichi (JP) 1995-05-30 US disclosed
EP-0617020-A1 Carboxylic acid derivatives having retinoic acid-like activity Shudo, Koichi, Prof. Dr. (JP) 1994-09-28 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 (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-20140329854-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL IN SIRTUIN BINDING AND MODULATION SIRT1, SIRT3, SIRT2 P4HTM 2015/4885P4HA1 1359/4885MIF 4546/4885
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES BACE2, BACE1, APP P4HTM 1180/4885P4HA1 439/4885MIF 2740/4885

“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.