SCHEMBL7091405

SCHEMBL7091405

COc1ccc(C(=O)c2ccc(OC)cc2Cl)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.65
MAPT P10636 2/20 0.65
NPC1 O15118 2/20 0.63
TYK2 P29597 2/20 0.56
JAK2 O60674 1/20 0.56
MAPK1 P28482 3/20 0.55
HTT P42858 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 4/20 0.54
CYP3A4 P08684 2/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 2/20 0.54
PGR P06401 2/20 0.54
SLC6A2 P23975 2/20 0.54
CYP2C19 P33261 2/20 0.54
KMT2A Q03164 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
AR P10275 1/20 0.54
CHRM1 P11229 1/20 0.54

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
SCHEMBL9726804 0.89 MAPT (0.82) RAB9AMAPTNPC1TYK2JAK2
SCHEMBL11576124 0.87 MAPK13 (0.58) RAB9AMAPTNPC1TYK2JAK2
SCHEMBL3142619 0.86 TYK2 (0.55) RAB9AMAPTNPC1TYK2JAK2
SCHEMBL295414 0.86 SMN1; SMN2 (0.57) RAB9AMAPTNPC1TYK2JAK2
SCHEMBL473972 0.86 ALDH1A1 (0.65) RAB9AMAPTNPC1TYK2JAK2
SCHEMBL3809736 0.86 MAPT (0.82) RAB9AMAPTNPC1MAPK1HTT
SCHEMBL27983727 0.86 HTT (0.69) RAB9AMAPTNPC1MAPK1HTT
SCHEMBL10659109 0.86 HPGD (0.54) RAB9AMAPTNPC1TYK2JAK2
SCHEMBL3032507 0.85 TYK2 (0.54) RAB9AMAPTNPC1TYK2JAK2
SCHEMBL2468448 0.85 KDM4E (0.54) RAB9AMAPTNPC1TYK2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them MERCK PATENT GMBH (DE) 2003-09-11 US disclosed
US-6559185-B2 Nitromethyl ketone compounds having aldose reduction inhibiting properties and methods for their use MERCK PATENT GMBH (DE) 2003-05-06 US disclosed
US-20030069312-A1 Antidiabetic agents LARDY CLAUDE (FR) 2003-04-10 US disclosed
US-6043281-A ALDOSE REDUCTASE INHIBITORS; TREATMENT OR PREVENTION OF COMPLICATIONS OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-28 US disclosed
EP-0983226-A1 NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM MERCK PATENT GmbH (DE) 2000-03-08 EP disclosed
US-5932765-A REDUCTASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT (DE) 1999-08-03 US disclosed
WO-1998052906-A1 NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 1998-11-26 WO disclosed
US-5110940-A Inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase BRISTOL-MYERS COMPANY (US) 1992-05-05 US disclosed
US-5068346-A Anticholesterol agents BRISTOL-MYERS COMPANY (US) 1991-11-26 US disclosed
US-4897490-A DERIVATIVES OF BETA-HYDROXY,OMEGA-DIPHENYL,TETRAZOL-5-YL ALK-OMEGA-ENOIC ACID, ESTER OR LACTONE BRISTOL-MEYERS COMPANY (US) 1990-01-30 US disclosed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO 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-20030069312-A1 Antidiabetic agents SLC5A1, SLC5A2, GPR119 RAB9A 2718/4885MAPT 3746/4885NPC1 660/4885
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them AKR1B1, AKR1A1, AKR1C1 RAB9A 2925/4885MAPT 2260/4885NPC1 855/4885

“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.