SCHEMBL1014753

SCHEMBL1014753

[CH2]CCCNC(=O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
HDAC1 Q13547 4/20 0.64
HDAC2 Q92769 4/20 0.64
HDAC8 Q9BY41 4/20 0.64
HDAC6 Q9UBN7 4/20 0.64
HDAC3 O15379 3/20 0.64
HDAC4 P56524 3/20 0.64
HDAC7 Q8WUI4 3/20 0.64
HDAC10 Q969S8 3/20 0.64
HDAC11 Q96DB2 3/20 0.64
HDAC9 Q9UKV0 3/20 0.64
HDAC5 Q9UQL6 3/20 0.64
NAAA Q02083 1/20 0.64
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
EPHX2 P34913 1/20 0.56
PRSS1 P07477 1/20 0.56

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
SCHEMBL1556347 0.94 HDAC1 (0.67) NPC1RAB9AHDAC1HDAC2HDAC8
SCHEMBL1416823 0.93 HDAC1 (0.70) NPC1RAB9AHDAC1HDAC2HDAC8
SCHEMBL5612077 0.90 DRD2 (0.64) NPC1RAB9AHDAC1HDAC2HDAC8
SCHEMBL726223 0.88 GAA (0.63) NPC1RAB9AHDAC1HDAC2HDAC8
SCHEMBL8779817 0.88 HDAC1 (0.79) NPC1RAB9AHDAC1HDAC2HDAC8
SCHEMBL9491686 0.88 NPC1 (0.75) NPC1RAB9AHDAC1HDAC2HDAC8
SCHEMBL7269223 0.87 MAPK1 (0.56) NPC1RAB9AHDAC1HDAC2HDAC8
SCHEMBL9489804 0.86 HDAC1 (0.82) NPC1RAB9AHDAC1HDAC2HDAC8
SCHEMBL9188890 0.86 HDAC1 (0.82) NPC1RAB9AHDAC1HDAC2HDAC8
SCHEMBL20734829 0.86 HDAC1 (0.82) NPC1RAB9AHDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273332-B2 Method for production of L-amino acid KANEKA CORPORATION (JP) 2016-03-01 US claimed
US-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2004-01-08 US claimed
US-6583139-B1 Treatment of inflammatory diseases; inflammatory brain diseases such as multiple sclerosis; N-(Toluene-4-sulfonyl)-L-prolyl-4-(alpha -methylbenzyloxy)-L-phenylalanine; Very Late Antigen 4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-06-24 US claimed
CN-1071751-C Reversible protease inhibitors ARRIS PHARM CORP (US) 2001-09-26 CN claimed
CN-1265672-A Sulphonylated dipeptide Compounds capable of inhibiting leukocyte adhesion mediated by VLA-4 ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN claimed
EP-0994896-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 EP claimed
US-6030946-A FUNCTIONS REVERSIBLY, RESULTING IN TIGHT BINDING (LOW DISSOCIATION CONSTANTS) BETWEEN INHIBITOR AND TARGET ENZYME; USED TO TREAT VARIETY OF DISEAES, INCLUDING ARTHRITIS, MUSCULAR DYSTROPHY, INFLAMMATION, TUMOR INVASION, MALERIA AXYS PHARMACEUTICALS, INC. (US) 2000-02-29 US claimed
WO-1999006437-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 WO claimed
CN-1192219-A Reversible cysteine protease inhibitors ARRIS PHARM CORP (US) 1998-09-02 CN claimed
US-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US claimed
CN-1184472-A Reversible protease inhibitors ARRIS PHARM CORP (US) 1998-06-10 CN claimed
EP-0832099-A1 REVERSIBLE CYSTEINE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-04-01 EP claimed
EP-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP claimed
WO-1996040737-A1 REVERSIBLE CYSTEINE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO claimed
EP-0548664-B1 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives HOFFMANN LA ROCHE (CH) 1995-05-31 EP claimed
US-5318966-A Administering the enzyme inhibitor for treating alzheimer's disease, learning enhancement, brain disorders HOFFMANN-LA ROCHE INC. (US) 1994-06-07 US claimed
US-5318967-A Cognition activators for alzheimer's disease, learning enhancement HOFFMANN-LA ROCHE INC. (US) 1994-06-07 US claimed
EP-0548664-A1 2,3,3a-5,9b-hexahydro-1H-benzo(e)indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-06-30 EP claimed
US-4315855-A Monoazo disperse dyes containing a nitrophenyl group and a homophthalimide group BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US claimed

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-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 NPC1 3250/4885RAB9A 2770/4885HDAC1 1548/4885

“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.