SCHEMBL361663

SCHEMBL361663

CC(=O)Oc1ccccc1Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
ALDH1A1 P00352 3/20 0.59
GAA P10253 2/20 0.59
HSP90AA1 P07900 1/20 0.59
HSD17B10 Q99714 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ESR1 P03372 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
HMGB1 P09429 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
GGT1 P19440 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
BLM P54132 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALOX15 P16050 1/20 0.53
LMNA P02545 1/20 0.47

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
SCHEMBL9480176 0.97 MAPT (0.65) MAPTALDH1A1GAAHSP90AA1HSD17B10
SCHEMBL1360923 0.85 MAPT (0.51) MAPTALDH1A1GAAHSP90AA1HSD17B10
SCHEMBL1446328 0.82 TOP1 (0.44) MAPTALDH1A1GAAHSP90AA1HSD17B10
SCHEMBL360590 0.81 MAPT (0.49) MAPTALDH1A1GAAHSP90AA1HSD17B10
SCHEMBL23421076 0.81 SMN1; SMN2 (0.57) MAPTALDH1A1HSD17B10KDM4EHPGD
SCHEMBL31482993 0.79 PTGS2 (0.53) MAPTALDH1A1HSD17B10KDM4EESR1
SCHEMBL10607461 0.79 PTGS2 (0.53) MAPTALDH1A1HSD17B10KDM4EESR1
SCHEMBL7166160 0.79 CXCL8 (0.47) MAPTALDH1A1HSD17B10KDM4EESR1
SCHEMBL10719145 0.78 NPC1 (0.56) MAPTALDH1A1GAAHSP90AA1HSD17B10
SCHEMBL9129364 0.78 EGFR (0.47) ALDH1A1HSD17B10KDM4EESR1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004039371-A2 COMPOSITIONS OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF NEUROPATHIC PAIN PHARMACIA CORPORATION (US) 2004-05-13 WO claimed
US-20040082543-A1 Compositions of cyclooxygenase-2 selective inhibitors and NMDA receptor antagonists for the treatment or prevention of neuropathic pain PHARMACIA CORPORATION 2004-04-29 US claimed
JP-55020728-A None JP disclosed
JP-55020727-A None JP disclosed
CN-110072883-A The relevant peptide of therapeutic MOTS-C 科巴公司 2019-07-30 CN disclosed
WO-2012008916-A1 FLAME RETARDANT AND INTUMESCENT COMPOUND AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-01-19 WO disclosed
US-7034187-B2 Poly(aralkyl ketone)s and methods of preparing the same AGENCY FOR SCIENCE, TECHNOLOGY, AND RESEARCH (SG) 2006-04-25 US disclosed
US-20050272905-A1 NOVEL POLY(ARALKYL KETONE)S AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2005-12-08 US disclosed
WO-2004039371-A2 COMPOSITIONS OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF NEUROPATHIC PAIN PHARMACIA CORPORATION (US) 2004-05-13 WO disclosed
US-20040082543-A1 Compositions of cyclooxygenase-2 selective inhibitors and NMDA receptor antagonists for the treatment or prevention of neuropathic pain PHARMACIA CORPORATION 2004-04-29 US disclosed
US-6552077-B2 Kidney disorders EXOCELL, INC. 2003-04-22 US disclosed
US-6355680-B1 BLOCKING REACTION OF GLUCOSE AND ALBUMIN EXOCELL, INC. 2002-03-12 US disclosed
US-20010034359-A1 Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies EXOCELL, INC. 2001-10-25 US disclosed
US-5843966-A Piperidine derivatives GLAXO GROUP LIMITED (GB) 1998-12-01 US disclosed
EP-0720609-B1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LTD (GB) 1998-11-11 EP disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed
EP-0720609-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1996-07-10 EP disclosed
WO-1995008549-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1995-03-30 WO disclosed
JP-S5520728-A PREPARATION OF 2-ANILINOPHENYL ACETATE MITSUI TOATSU CHEM INC 1980-02-14 JP disclosed
JP-S5520727-A PREPARATION OF 2-ANILINOPHENYL ACETATE MITSUI TOATSU CHEM INC 1980-02-14 JP 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 (3 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-20050272905-A1 NOVEL POLY(ARALKYL KETONE)S AND METHODS OF PREPARING THE SAME ADSL, KHK, PKLR MAPT 3173/4885ALDH1A1 1700/4885GAA 1268/4885
US-20010034359-A1 Albumin-binding compounds that prevent nonenzymatic glycation and that may be used for treatment of glycation-related pathologies ALB, AGER, TTR MAPT 592/4885ALDH1A1 942/4885GAA 50/4885
US-20040082543-A1 Compositions of cyclooxygenase-2 selective inhibitors and NMDA receptor antagonists for the treatment or prevention of neuropathic pain GRIN2A, GRIN2B, GRIN3A MAPT 2487/4885ALDH1A1 3283/4885GAA 4028/4885

“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.