SCHEMBL1636094

SCHEMBL1636094

C#Cc1cccc(C(=O)N(CC)CC)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.61
TDP1 Q9NUW8 1/20 0.61
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 5/20 0.50
TSHR P16473 1/20 0.50
HSP90AA1 P07900 5/20 0.47
HSP90AB1 P08238 5/20 0.47
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.44
BLM P54132 1/20 0.44
PPARG P37231 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MLYCD O95822 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
SCHEMBL28751183 0.88 TP53 (0.47) HPGDTDP1LMNASMN1; SMN2NPC1
SCHEMBL4918506 0.84 HPGD (0.61) HPGDTDP1LMNASMN1; SMN2NPC1
Formic Acid SCHEMBL27625575 0.83 BACE1 (0.46) HPGDTDP1LMNASMN1; SMN2NPC1
SCHEMBL7406512 0.82 HPGD (0.79) HPGDTDP1LMNASMN1; SMN2NPC1
SCHEMBL3610292 0.80 HPGD (0.56) HPGDTDP1LMNASMN1; SMN2NPC1
SCHEMBL27774013 0.78 GSK3B (0.47) HPGDLMNASMN1; SMN2RAB9AALDH1A1
SCHEMBL13640725 0.77 CYP3A4 (0.41) HPGDTDP1LMNAMEN1KMT2A
SCHEMBL2566192 0.76 HPGD (0.69) HPGDTDP1LMNASMN1; SMN2NPC1
Diethyltoluamide SCHEMBL29976 0.76 HPGD (1.00) HPGDTDP1LMNASMN1; SMN2NPC1
SCHEMBL29386132 0.76 HPGD (0.69) HPGDTDP1LMNASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042506-B1 SUBSTITUTED PHENYLETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX UBE INDUSTRIES (JP) 2012-12-19 EP disclosed
US-7932398-B2 Substituted phenylethynylgold-nitrogen-containing heterocyclic carbene complex UBE INDUSTRIES, LTD. (JP) 2011-04-26 US disclosed
US-20090234130-A1 SUBSTITUTED PHENYLETHYNYLGOLD-NITROGEN-CONTAINING HETEROCYCLIC CARBENE COMPLEX UBE INDUSTRIES, LTD. (JP) 2009-09-17 US disclosed
EP-2042506-A1 SUBSTITUTED PHENYLETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX Ube Industries, Ltd. (JP) 2009-04-01 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-20090234130-A1 SUBSTITUTED PHENYLETHYNYLGOLD-NITROGEN-CONTAINING HETEROCYCLIC CARBENE COMPLEX CCRL2, CCNL2, ATXN2L HPGD 3064/4885TDP1 4727/4885LMNA 2002/4885

“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.