SCHEMBL12901004

SCHEMBL12901004

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.55
P2RX7 Q99572 10/20 0.51
RAB9A P51151 3/20 0.50
HPGD P15428 2/20 0.49
GPR139 Q6DWJ6 1/20 0.48
NPC1 O15118 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL12900929 0.86 P2RX7 (0.48) P2RX7RAB9AHPGDGPR139NPC1
SCHEMBL279847 0.84 NPC1 (0.51) P2RX7RAB9AHPGDNPC1CA1
SCHEMBL12163930 0.83 LMNA (0.53) P2RX7RAB9AHPGDNPC1KDM4E
SCHEMBL15630975 0.83 EGLN1 (0.57) EGLN1RAB9ANPC1MEN1KMT2A
SCHEMBL8002583 0.83 ALDH1A1 (0.64) EGLN1P2RX7HPGDGPR139CA1
SCHEMBL20355604 0.82 EGLN1 (0.64) EGLN1RAB9AKDM4EMEN1LMNA
SCHEMBL29195047 0.82 P2RX7 (0.55) EGLN1P2RX7RAB9AHPGDGPR139
SCHEMBL18850119 0.82 GPR139 (0.47) P2RX7RAB9AHPGDGPR139KDM4E
SCHEMBL12901002 0.82 NPC1 (0.55) P2RX7RAB9AHPGDNPC1CA1
SCHEMBL20694515 0.81 HPGD (0.62) EGLN1P2RX7HPGDCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090275623-A1 ALPHA-AMINO ACID DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME AS AN ACTIVE INGREDIENT CCNA1, AURKA, CDK1 EGLN1 3438/4885P2RX7 2996/4885RAB9A 3986/4885

“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.