SCHEMBL1678232

SCHEMBL1678232

CCCCN(CCCC)C(=O)CCCCc1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
THRA P10827 3/20 0.46
THRB P10828 3/20 0.46
ALOX5 P09917 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
FAAH O00519 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL1677783 0.88 CA12 (0.55) THRATHRBALOX5LMNAALDH1A1
SCHEMBL10568746 0.84 SMN1; SMN2 (0.50) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL1677908 0.82 CYP19A1 (0.43) THRATHRBALOX5LMNASMN1; SMN2
SCHEMBL2938289 0.82 ALDH1A1 (0.51) THRATHRBLMNAFAAHALDH1A1
SCHEMBL6706470 0.78 MMP1 (0.56) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL27488153 0.78 HPGD (0.41) HDAC3HDAC1HDAC2HDAC6NCOR2
Acetic Acid SCHEMBL15820923 0.77 ALDH1A1 (0.58) THRATHRBHPGDLMNAHTT
SCHEMBL1677824 0.77 NAAA (0.48) HDAC3HDAC1HDAC2HDAC6LMNA
SCHEMBL369568 0.76 HRH1 (0.59) LMNAHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL2478145 0.76 MMP1 (0.54) HPGDLMNATSHRALDH1A1

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
US-7923461-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-04-12 US disclosed
EP-1568692-B1 (Pyridinyl)alkyl-amides or -ureas as TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2010-09-15 EP disclosed
US-7741346-B2 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-22 US disclosed
US-20100016380-A1 TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-1743885-B1 1-[(adamantyl)alkyl]-3-[(pyridinyl)alkyl]urea compounds as TNF-.alpha inhibitors useful for autoimmune diseases SANTEN PHARMACEUTICAL CO LTD (JP) 2009-11-11 EP disclosed
US-7491739-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-20080182881-A1 TNF-alpha production inhibitors SANTEN PHARMACEUTICAL, CO., LTD. (JP) 2008-07-31 US disclosed
US-20080161270-A1 Angiogenesis inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
US-7345064-B2 5-(4-pyridyl)valeric acid N-[2-(1-adamantyl)ethyl]-N-pentylamide; Autoimmune diseases such as rheumatoid arthritis, allergy and diabetes SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-03-18 US disclosed
EP-1743885-A2 TNF-Alpha Produktion Hemmer zur Behandlung von Autoimmunerkrankungen SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-01-17 EP disclosed
US-20060241155-A1 5-(4-pyridyl)valeric acid N-[2-(1-adamantyl)ethyl]-N-pentylamide; Autoimmune diseases such as rheumatoid arthritis, allergy and diabetes SANTEN PHARMACEUTICAL, CO., LTD. (JP) 2006-10-26 US disclosed
US-20060229342-A1 TNF-a production inhibitors SANTEN PHARMACEUTICAL, CO., LTD. (JP) 2006-10-12 US disclosed
US-7098226-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-08-29 US disclosed
EP-1568692-A1 (pyridin-4-yl)alkyl-amides as TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
US-20050014800-A1 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
EP-1302461-A1 TNF-ALPHA PRODUCTION INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 EP disclosed
US-20030032623-A1 Tnf-alpha production inhibitors AYUMI PHARMACEUTICAL CORPORATION (JP) 2003-02-13 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 (7 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-20060241155-A1 5-(4-pyridyl)valeric acid N-[2-(1-adamantyl)ethyl]-N-pentylamide; Autoimmune diseases such as rheumatoid arthritis, allergy and diabetes TNFRSF1A, FFAR4, NGFR HDAC3 2924/4885HDAC1 2296/4885HDAC2 2729/4885
US-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 HDAC3 2567/4885HDAC1 2320/4885HDAC2 2712/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 HDAC3 2206/4885HDAC1 1723/4885HDAC2 2252/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 HDAC3 584/4885HDAC1 415/4885HDAC2 796/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 HDAC3 620/4885HDAC1 419/4885HDAC2 814/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 HDAC3 2360/4885HDAC1 1500/4885HDAC2 2128/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 HDAC3 1870/4885HDAC1 1612/4885HDAC2 2023/4885

“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.