SCHEMBL11940437

SCHEMBL11940437

Cc1ccccc1C(=O)NSC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.42
DHODH Q02127 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
TYK2 P29597 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41

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
SCHEMBL17460967 0.79 HDAC3 (0.37) HPGDSMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL9915091 0.79 TDP1 (0.50) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9915109 0.76 SMN1; SMN2 (0.54) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL15105762 0.73 L3MBTL1 (0.56) HPGDALDH1A1L3MBTL1POLBERCC5
SCHEMBL28693505 0.72 HPGD (0.56) HPGDALDH1A1LMNA
SCHEMBL12461860 0.71 ALDH1A1 (0.71) HPGDNPC1ALDH1A1L3MBTL1LMNA
SCHEMBL16348943 0.71 ALDH1A1 (0.71) HPGDNPC1ALDH1A1L3MBTL1LMNA
SCHEMBL14607897 0.70 HPGD (0.57) HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL9915151 0.70 ALDH1A1 (0.54) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6497799 0.69 HPGD (0.60) HPGDSMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9243028-B2 Facile amide formation via S-nitroso thioacid intermediates WASHINGTON STATE UNIVERSITY (US) 2016-01-26 US disclosed
US-20120190820-A1 FACILE AMIDE FORMATION VIA S-NITROSO THIOACID INTERMEDIATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-07-26 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 (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-20120190820-A1 FACILE AMIDE FORMATION VIA S-NITROSO THIOACID INTERMEDIATES NAAA, TST, ASNS HPGD 588/4885SMN1; SMN2 2383/4885NPC1 4295/4885

“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.