SCHEMBL7074595

SCHEMBL7074595

CC(C)NC(C)C.CCOc1ccc(CCl)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.50
▸ NPC1 O15118 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ACACB O00763 3/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41

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
SCHEMBL1390870 0.87 NQO1 (0.67) NQO1NPC1KDM4ESMN1; SMN2ALDH1A1
Diethylamine SCHEMBL7072606 0.81 NQO1 (0.54) NQO1NPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6158908 0.81 LTA4H (0.61) NQO1NPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7573046 0.79 ADRB2 (0.38) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13821991 0.79 CYP1A2 (0.58) ACACBSIGMAR1
SCHEMBL13821993 0.79 CYP1A2 (0.58) ACACBSIGMAR1
SCHEMBL9502120 0.76 NQO1 (0.52) NQO1NPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4527180 0.75 MAPT (0.50) NPC1KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL23509372 0.74 KMT2A (0.61) NQO1NPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9830128 0.73 NQO1 (0.46) NQO1NPC1KDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970046-B1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS WYETH CORP (US) 2003-12-10 — — EP disclosed
US-20020188120-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl, or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID COMPANY (US) 2002-12-12 — — US disclosed
US-6462073-B2 METALLOPROTEASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION 2002-10-08 — — US disclosed
US-6444704-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANTITUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION 2002-09-03 — — US disclosed
US-6441023-B1 FOR THERAPY OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN HOME PRODUCTS CORPORATION 2002-08-27 — — US disclosed
US-20020032186-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID COMPANY (US) 2002-03-14 — — US disclosed
US-6342508-B1 ENZYME INHIBITORS FOR PROTECTION OF CONNECTIVE TISSUES AMERICAN CYANAMID COMPANY 2002-01-29 — — US disclosed
US-6331563-B1 LOW MOLECULAR WEIGHT, NON-PEPTIDE INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME; TREATING ARTHRITIS, TUMOR METASTASIS, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, INSULIN RESISTANCE WYETH HOLDINGS CORPORATION 2001-12-18 — — US disclosed
US-6288086-B1 COMPOUNDS SUCH AS 1-METHYL-4-(4-BUTOXY-BENZENESULFONYL) -PIPERIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE USED TO TREAT ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, ETC.; LOW MOLECULAR WEIGHT AND NON-PEPTIDAL AMERICAN CYANAMID COMPANY 2001-09-11 — — US disclosed
US-6197791-B1 ANTIARTHRITIC AGENTS; WOUND HEALING AGENTS; ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2001-03-06 — — US disclosed
US-6172057-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2001-01-09 — — US disclosed
EP-1054858-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-29 — — EP disclosed
EP-0973512-A1 N-HYDROXY-2-(ALKYL, ARYL OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-01-26 — — EP disclosed
EP-0970046-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-01-12 — — EP disclosed
WO-1999042436-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-08-26 — — WO disclosed
WO-1998038163-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-09-03 — — WO disclosed
WO-1998037877-A1 N-HYDROXY-2-(ALKYL, ARYL OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-09-03 — — 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-20020032186-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors MMP12, ADAM33, MMP2 NQO1 1654/4885NPC1 1352/4885KDM4E 3481/4885
US-20020188120-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl, or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors MMP12, ADAM33, MMP2 NQO1 2228/4885NPC1 1412/4885KDM4E 3571/4885

“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.

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