SCHEMBL7620156

SCHEMBL7620156

CSc1ccc(/C(C=O)=C(\Cl)c2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 1/20 0.51
CTNNB1 P35222 1/20 0.51
MAPT P10636 2/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
AKR1C1 Q04828 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
PLK1 P53350 1/20 0.38
NQO2 P16083 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HAO1 Q9UJM8 1/20 0.35
PTGS1 P23219 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL7620158 1.00 TCF4 (0.51) TCF4CTNNB1MAPTAKR1C3AKR1C2
SCHEMBL7627953 1.00 TCF4 (0.51) TCF4CTNNB1MAPTAKR1C3AKR1C2
SCHEMBL8985441 0.83 TCF4 (0.38) TCF4CTNNB1MAPTAKR1C3AKR1C2
SCHEMBL8985444 0.83 TCF4 (0.38) TCF4CTNNB1MAPTAKR1C3AKR1C2
SCHEMBL8094065 0.79 LMNA (0.40) MAPTAKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL8094061 0.79 LMNA (0.40) MAPTAKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL7625386 0.77 PTGS2 (0.54) TCF4CTNNB1AKR1C3AKR1C2AKR1C1
SCHEMBL7625379 0.77 PTGS2 (0.54) TCF4CTNNB1AKR1C3AKR1C2AKR1C1
SCHEMBL7876457 0.75 PLK1 (0.41) MAPTAKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL7876452 0.75 PLK1 (0.41) MAPTAKR1C3AKR1C2AKR1C1ALDH1A1

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
US-6486194-B2 ALZHEIMER'S DISEASE MERCK FROSST CANADA, INC. (CA) 2002-11-26 US disclosed
US-6329421-B1 PHENYL-SUBSTITUTED BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES; NONSTEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-12-11 US disclosed
US-20010016595-A1 Use of inhibitors of cyclooxygenase in the treatment of neurodegenerative diseases MERCK FROSST CANADA INC./MERCK FROSST CANADA & CO. 2001-08-23 US disclosed
US-6239173-B1 ANTIINFLAMMATORY, ANTIPYRETIC, ANALGESIC, AND ANTIARTHRITIC AGENTS MERCK FROSST CANADA INC./MERCK FROSST CANADA & CO. (CA) 2001-05-29 US disclosed
EP-0980866-A2 Phenyl heterocycles as cyclooxygenase-2 inhibitors Merck Frosst Canada & Co. (CA) 2000-02-23 EP disclosed
EP-0778834-B1 DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC (CA) 2000-01-26 EP disclosed
US-5840746-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1998-11-24 US disclosed
EP-0822190-A1 Phenyl heterocycles as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC. (CA) 1998-02-04 EP disclosed
US-5710140-A ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIPYRETIC AGENT MERCK FROSST CANADA, INC. (CA) 1998-01-20 US disclosed
EP-0754687-A1 Phenyl heterocycles as cyclooxygenase-2 inhibitors MERCK FROSST CANADA INC. (CA) 1997-01-22 EP disclosed
EP-0739340-A1 PHENYL HETEROCYCLES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-10-30 EP disclosed
US-5550142-A CYCLOOXYGENASE INHIBITORS; ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETIC AGENTS MERCK FROSST CANADA INC. (CA) 1996-08-27 US disclosed
US-5536752-A TREATMENT OF CYCLOOXYGENASE-2 MEDIATED DISEASES; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA INC. (CA) 1996-07-16 US disclosed
US-5521213-A NONSTEROID ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1996-05-28 US disclosed
EP-0705254-A1 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-04-10 EP disclosed
US-5474995-A Nonsteroidal, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1995-12-12 US disclosed
WO-1995018799-A1 PHENYL HETEROCYCLES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-07-13 WO disclosed
WO-1995000501-A2 PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1995-01-05 WO disclosed
US-5082974-A 3-HALOGENO-2,3-DIPHENYLACRYLALDEHYDE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND A PHARMACEUTICAL COMPOSITION FOR TREATING HYPERLIPIDEMI OTSUKA PHARACEUTICAL FACTORY, INC. (JP) 1992-01-21 US disclosed
EP-0424541-A1 3-HALOGENO-2,3-DIPHENYLACRYLALDEHYDE DERIVATIVE, METHOD OF PRODUCTION THEREOF AND CURING AGENT FOR HYPERLIPIDEMIA OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1991-05-02 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 (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-20010016595-A1 Use of inhibitors of cyclooxygenase in the treatment of neurodegenerative diseases PTGS1, PTGES2, PTGS2 TCF4 4704/4885CTNNB1 4529/4885MAPT 263/4885

“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.