SCHEMBL6564601

SCHEMBL6564601

COC(=O)NC(=N)c1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
S1PR3 Q99500 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.32
PLAU P00749 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
MASP2 O00187 1/20 0.32
STAT3 P40763 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
S1PR4 O95977 2/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL7974910 0.86 HPGD (0.38) ALDH1A1LMNAHPGDALOX15SMN1; SMN2
SCHEMBL7988689 0.84 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2MASP2
SCHEMBL7986256 0.84 NFKB1 (0.36) SMN1; SMN2MAPT
SCHEMBL7988673 0.84 TSHR (0.38) ALDH1A1LMNAHPGDS1PR3SMN1; SMN2
SCHEMBL7988304 0.84 SMN1; SMN2 (0.44) ALDH1A1LMNAHPGDALOX15S1PR3
SCHEMBL7985973 0.83 HSD17B10 (0.31) HSD17B10TDP1
SCHEMBL7975780 0.82 EPHX1 (0.32) ALDH1A1LMNASMN1; SMN2
SCHEMBL7986464 0.82 MASP2 (0.40) ALDH1A1LMNAALOX15HSD17B10SMN1; SMN2
SCHEMBL7989908 0.82 CYP3A4 (0.32) ALOX15TSHR
SCHEMBL7992134 0.82 SMN1; SMN2 (0.42) ALDH1A1LMNAHPGDSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220411-A1 Oxalic acid derivatives MERCK PATENT GMBH (DE) 2004-11-04 US disclosed
EP-1377543-A1 OXALIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2004-01-07 EP disclosed
WO-2002083630-A1 OXALIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-10-24 WO disclosed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 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-20040220411-A1 Oxalic acid derivatives F11, F2, F12 ALDH1A1 471/4885LMNA 4134/4885HPGD 623/4885

“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.