SCHEMBL1677889

SCHEMBL1677889

NCC=Cc1ccnc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP1A2 P05177 2/20 0.57
HSD17B10 Q99714 2/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPK1 P28482 2/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX15 P16050 1/20 0.57
CYP2C19 P33261 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HTT P42858 3/20 0.54
LMNA P02545 1/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.53
NCF1 P14598 1/20 0.47
RAB9A P51151 4/20 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
SCHEMBL1677887 1.00 MAPT (0.57) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3396868 0.83 MAPT (0.58) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL6851986 0.83 MAPT (0.58) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL10246109 0.83 MAPT (0.57) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL12251094 0.79 MAPT (0.53) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL13351489 0.77 MAPT (0.62) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL14432324 0.77 MAPT (0.62) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL4818560 0.77 MAPT (0.62) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3394573 0.77 MAPT (0.62) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL7146064 0.77 MAPT (0.62) MAPTALDH1A1HPGDMEN1KMT2A

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 24 patents — showing the first 20. 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
CN-1324012-C TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2007-07-04 CN 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
CN-1590374-A TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2005-03-09 CN disclosed
CN-1590375-A TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2005-03-09 CN disclosed
US-20050014800-A1 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
EP-1457205-A1 ANGIOGENESIS INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP disclosed
CN-1432000-A TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2003-07-23 CN 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 (6 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-20060229342-A1 TNF-a production inhibitors TNF, TNFRSF1A, TNFRSF9 MAPT 4835/4885ALDH1A1 950/4885HPGD 1184/4885
US-20080182881-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 MAPT 4869/4885ALDH1A1 964/4885HPGD 664/4885
US-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 MAPT 4340/4885ALDH1A1 1014/4885HPGD 1665/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 MAPT 4358/4885ALDH1A1 1011/4885HPGD 1692/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 MAPT 4862/4885ALDH1A1 556/4885HPGD 348/4885
US-20100016380-A1 TNF-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 MAPT 4430/4885ALDH1A1 1792/4885HPGD 1350/4885

“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.