SCHEMBL2636349

SCHEMBL2636349

CCOC(=O)Cc1cccc(NC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 4/20 0.45
CYP4Z1 Q86W10 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.42
PPID Q08752 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42

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
SCHEMBL2082850 0.86 HTT (0.44) HTTKMT2AMEN1MAPTCYP4Z1
SCHEMBL693860 0.85 SLC7A5 (0.54) HTTKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL12440456 0.85 MEN1 (0.54) HTTKMT2AMEN1MAPTALDH1A1
SCHEMBL30967793 0.85 CYP4F2 (0.53) MAPTCYP4Z1ALDH1A1SYK
Hydrochloric Acid SCHEMBL2082848 0.85 MAPT (0.46) HTTKMT2AMEN1MAPTCYP4Z1
SCHEMBL68412 0.85 L3MBTL1 (0.50) HTTKMT2AMEN1MAPTCYP4Z1
SCHEMBL6366473 0.84 DHODH (0.44) HTTKMT2AMEN1MAPTCYP4Z1
SCHEMBL12440452 0.82 POLB (0.50) SMN1; SMN2ALDH1A1LMNAHSD17B10
SCHEMBL11629505 0.81 TP53 (0.48) HTTKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL5089369 0.81 MAPT (0.43) HTTKMT2AMEN1MAPTCYP4Z1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US disclosed
EP-2438037-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP disclosed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO disclosed
US-6838478-B2 Amino acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2005-01-04 US disclosed
CN-1129604-C Amino acid derivatives and their use as thrombin inhibitors ASTRA AB (SE) 2003-12-03 CN disclosed
EP-0910573-B1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-20020019371-A1 New amino acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2002-02-14 US disclosed
US-6255301-B1 CARDIOVASCULAR DISORDERS; ANTICOAGULANT; PROTEASE INHIBITORS ASTRAZENECA AB (SE) 2001-07-03 US disclosed
CN-1226895-A Amino acid derivatives and their use as thrombin inhibitors ASTRA AB (SE) 1999-08-25 CN disclosed
EP-0910573-A1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS Astra Aktiebolag (SE) 1999-04-28 EP disclosed
WO-1997046577-A1 NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1997-12-11 WO disclosed
US-4230703-A ANALGESICS; ANTIINFLAMMATORY AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-10-28 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 (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-20020019371-A1 New amino acid derivatives and their use as thrombin inhibitors F2, SERPINC1, FGB HTT 3385/4885KMT2A 3943/4885MEN1 2803/4885
US-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 HTT 106/4885KMT2A 2708/4885MEN1 932/4885

“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.