SCHEMBL3377490

SCHEMBL3377490

O=C(O)C1Cc2ccccc2[N]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34
NPY5R Q15761 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
TRPA1 O75762 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL7295206 1.00 MAPT (0.41) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL3454405 0.84 SLC18A3 (0.42) MAPTGAAMEN1KMT2ACYP2D6
SCHEMBL8116855 0.83 NOTUM (0.38) MAPTGAAMEN1KMT2ACYP2D6
SCHEMBL3227259 0.83 CYP2D6 (0.37) MAPTGAAMEN1KMT2ACYP2D6
SCHEMBL11647276 0.81 NOS3 (0.39) MAPTGAASMN1; SMN2RAB9ANPC1
SCHEMBL7462076 0.79 TRPA1 (0.38) MAPTMEN1KMT2ACYP2D6TSHR
SCHEMBL9174938 0.74 NAMPT (0.43) TSHR
SCHEMBL3942760 0.73 GAA (0.41) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL3373290 0.71 CYP2D6 (0.46) MEN1KMT2ACYP2D6RECQLTRPA1
SCHEMBL3054748 0.71 KMT2A (0.38) SMN1; SMN2MEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244836-B1 TRIPEPTIDE DERIVATIVES Dainippon Pharmaceutical Co., Ltd. (JP) 1993-08-18 EP claimed
US-4826814-A INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-05-02 US claimed
EP-0244836-A2 Tripeptide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-11 EP claimed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
EP-1091957-B1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA ALTANA PHARMA AG (DE) 2004-12-15 EP disclosed
EP-0772593-B1 THIOPYRIDYL COMPOUNDS FOR CONTROLLING HELICOBACTER BACTERIA ALTANA PHARMA AG (DE) 2003-05-02 EP disclosed
US-6479514-B1 FOR THE CONTROL OF HELICOBACTER BACTERIA IN INFECTED PATIENTS ALTANA PHARMA AG (DE) 2002-11-12 US disclosed
EP-0869126-B1 Dithiolan derivatives, their preparation and their therapeutic effect SANKYO CO (JP) 2002-07-31 EP disclosed
US-6395732-B1 BACTERICIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-05-28 US disclosed
US-6313164-B1 TO ENHANCE THE ACTIVITY OF GLUTATHIONE RECLUCTASE; FOR THERAPY AND PROPHYLAXIS OF CARTARACTS SANKYO COMPANY, LIMITED (JP) 2001-11-06 US disclosed
EP-0863899-A1 PYRIDOPYRIMIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1998-09-16 EP disclosed
US-5668131-A CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-09-16 US disclosed
WO-1997019946-A1 PYRIDOPYRIMIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-06-05 WO disclosed
WO-1996002505-A1 THIOPYRIDYL COMPOUNDS FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-02-01 WO disclosed
WO-1996000224-A1 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-01-04 WO disclosed
EP-0244836-B1 TRIPEPTIDE DERIVATIVES Dainippon Pharmaceutical Co., Ltd. (JP) 1993-08-18 EP disclosed
US-4826814-A INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-05-02 US disclosed
EP-0244836-A2 Tripeptide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-11 EP disclosed
US-4104392-A N2 -naphthalenesulfonyl-L-argininamides and the pharmaceutically acceptable salts thereof, and antithrombotic compositions and methods employing them MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1978-08-01 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 (1 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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI MAPT 2810/4885GAA 3107/4885SMN1; SMN2 1596/4885

“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.