SCHEMBL4256808

SCHEMBL4256808

COC(=O)c1cccc(C(=O)C=CN(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.63
ALDH1A1 P00352 6/20 0.63
HTT P42858 5/20 0.63
HPGD P15428 3/20 0.63
GAA P10253 2/20 0.63
RECQL P46063 2/20 0.60
LMNA P02545 4/20 0.57
RAB9A P51151 5/20 0.57
P4HB P07237 3/20 0.55
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALOX12 P18054 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46

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
SCHEMBL4256806 1.00 MAPT (0.63) MAPTALDH1A1HTTHPGDGAA
SCHEMBL5946453 0.88 MAPT (0.77) MAPTALDH1A1HTTHPGDGAA
SCHEMBL950110 0.83 MAPT (0.70) MAPTALDH1A1HTTHPGDGAA
SCHEMBL950108 0.83 MAPT (0.70) MAPTALDH1A1HTTHPGDGAA
SCHEMBL22449502 0.82 RECQL (0.71) MAPTALDH1A1HTTHPGDGAA
SCHEMBL5800440 0.82 RECQL (0.71) MAPTALDH1A1HTTHPGDGAA
SCHEMBL2162785 0.81 MAPT (0.71) MAPTALDH1A1HTTHPGDGAA
SCHEMBL17354036 0.81 MAPT (0.63) MAPTALDH1A1HTTHPGDGAA
SCHEMBL14537314 0.81 MAPT (0.71) MAPTALDH1A1HTTHPGDGAA
SCHEMBL16024024 0.81 MAPT (0.63) MAPTALDH1A1HTTHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110407833-B Deuterated Vissturtib compound and application thereof 海创药业股份有限公司 2021-03-09 CN disclosed
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 US disclosed
EP-2097420-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Products Inc. (US) 2009-09-09 EP disclosed
WO-2008065508-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US disclosed
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same WYETH 2006-03-23 US disclosed
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 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 (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-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same TYMP, DPYD, TYMS MAPT 3174/4885ALDH1A1 848/4885HTT 2696/4885
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB MAPT 2999/4885ALDH1A1 212/4885HTT 3371/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS MAPT 4164/4885ALDH1A1 847/4885HTT 2314/4885

“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.