SCHEMBL279847

SCHEMBL279847

Cc1ccc(Cl)c(C(=O)NCCC(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
P2RX7 Q99572 5/20 0.49
KMT2A Q03164 4/20 0.49
HPGD P15428 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP1A2 P05177 2/20 0.48
GCGR P47871 1/20 0.47
MEN1 O00255 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 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
SCHEMBL12901002 0.91 NPC1 (0.55) NPC1RAB9AP2RX7KMT2AHPGD
SCHEMBL12901004 0.84 EGLN1 (0.55) NPC1RAB9AP2RX7KMT2AHPGD
SCHEMBL12855992 0.83 CSNK2A1 (0.54) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL14395879 0.82 P2RX7 (0.53) NPC1RAB9AP2RX7KMT2AHPGD
SCHEMBL12163930 0.81 LMNA (0.53) NPC1RAB9AP2RX7KMT2AHPGD
SCHEMBL1520287 0.78 NPC1 (0.69) NPC1RAB9AP2RX7KMT2AHPGD
SCHEMBL11814625 0.78 KMT2A (0.70) RAB9AKMT2AMEN1CYP2C19
SCHEMBL20018152 0.77 ALDH1A1 (0.68) NPC1RAB9AP2RX7KMT2AHPGD
SCHEMBL12900929 0.77 P2RX7 (0.48) NPC1RAB9AP2RX7KMT2AHPGD
SCHEMBL19296072 0.77 P2RX7 (0.48) NPC1RAB9AP2RX7KMT2AHPGD

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-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
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 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 (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 NPC1 3107/4885RAB9A 2458/4885P2RX7 744/4885
US-20090275623-A1 ALPHA-AMINO ACID DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME AS AN ACTIVE INGREDIENT CCNA1, AURKA, CDK1 NPC1 3238/4885RAB9A 3986/4885P2RX7 2996/4885

“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.