SCHEMBL279941

SCHEMBL279941

Cc1cccc(C(=O)NCCC(N)=O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.62
NPC1 O15118 1/20 0.62
GAA P10253 1/20 0.61
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ATM Q13315 1/20 0.55
PARP1 P09874 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
POLB P06746 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
KCNK3 O14649 1/20 0.51
KCNH2 Q12809 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL12246462 0.92 NPC1 (0.61) RAB9ANPC1GAAHDAC3HDAC1
SCHEMBL3199124 0.86 NPC1 (0.68) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL27823613 0.86 GAA (0.67) RAB9ANPC1GAAHDAC3HDAC1
SCHEMBL23714782 0.84 HDAC8 (0.59) RAB9ANPC1MEN1KMT2AHDAC8
SCHEMBL11234425 0.84 RAB9A (0.66) RAB9ANPC1GAAHDAC3HDAC1
SCHEMBL27823614 0.83 NPC1 (0.61) RAB9ANPC1GAAHDAC3HDAC1
SCHEMBL277398 0.83 KDM4E (0.50) GAAHDAC3HDAC1KMT2AHDAC8
SCHEMBL1753828 0.82 L3MBTL1 (0.71) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL9492626 0.82 NPC1 (0.68) RAB9ANPC1GAAHDAC3HDAC1
SCHEMBL842631 0.82 NPC1 (0.68) RAB9ANPC1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-7879887-B2 such as 2-(4-chloro-3-hydroxyphenylamino)-N-(6H-pyrazolo[4',3':3,4]benzo[1,2-d]thiazol-2-yl)-acetamide, having antitumor activity, particularly dual inhibitory activity on Aurora kinase and cyclin-dependent kinase (CDK), and are useful for cell proliferative diseases such as cancer NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-02-01 US disclosed
US-20090275623-A1 ALPHA-AMINO ACID DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME AS AN ACTIVE INGREDIENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-11-05 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
EP-2045253-A1 a-AMINO ACID DERIVATIVE AND PHARMACEUTICAL COMPRISING THE SAME AS ACTIVE INGREDIENT Nissan Chemical Industries, Ltd. (JP) 2009-04-08 EP disclosed
EP-1845090-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2007-10-17 EP 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-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, PTAFR, MPL RAB9A 2458/4885NPC1 3107/4885GAA 2220/4885
US-20090275623-A1 ALPHA-AMINO ACID DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME AS AN ACTIVE INGREDIENT CCNA1, AURKA, CDK1 RAB9A 3986/4885NPC1 3238/4885GAA 1208/4885

“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.