SCHEMBL12417620

SCHEMBL12417620

CNC(=O)c1c(O)c(C)c(C)n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
EGFR P00533 2/20 0.40
SRC P12931 1/20 0.40
NPC1 O15118 7/20 0.38
RAB9A P51151 6/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
NLRP3 Q96P20 2/20 0.37
TP53 P04637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
EGLN1 Q9GZT9 1/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL12417654 0.83 TSHR (0.39) TSHREGFRSRCNPC1RAB9A
SCHEMBL12417647 0.83 TSHR (0.39) TSHREGFRSRCNPC1RAB9A
SCHEMBL31384761 0.79 LDHA (0.43) TSHREGFRNPC1RAB9AMEN1
SCHEMBL1400072 0.79 KDM4E (0.49) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL12417634 0.78 HTT (0.39) TSHREGFRSRCMEN1KMT2A
SCHEMBL12417631 0.78 TSHR (0.50) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL12417636 0.72 TSHR (0.42) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL8743594 0.72 ALDH1A1 (0.70) EGFRSRCNPC1RAB9AMEN1
SCHEMBL12019535 0.72 KDM4E (0.38) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL1777363 0.72 RAB9A (0.68) TSHRNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304437-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-06 US disclosed
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME ARIMORI SADAYUKI 2011-07-14 US disclosed
US-7943614-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-7943638-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-7935716-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090111815-A1 Carboxamide Compound and Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20090111852-A1 Carboxamide Compound and Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20090076063-A1 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 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 (4 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-20090111852-A1 Carboxamide Compound and Use of the Same CBR3, H1-3, H1-0 TSHR 3874/4885EGFR 4431/4885SRC 4609/4885
US-20090076063-A1 Carboxamide compound and use of the same CBR3, SIRT2, SIRT1 TSHR 2270/4885EGFR 3372/4885SRC 4453/4885
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME CBR3, SIRT2, SIRT1 TSHR 2270/4885EGFR 3372/4885SRC 4453/4885
US-20090111815-A1 Carboxamide Compound and Use of the Same NAA50, SIRT1, NQO2 TSHR 4219/4885EGFR 3994/4885SRC 4174/4885

“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.