SCHEMBL10083282

SCHEMBL10083282

CCCCCNC(=O)Nc1nc(CC)cs1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
PDE5A O76074 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 1/20 0.48
EPHX1 P07099 10/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.43
GAA P10253 1/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL10084855 0.99 LMNA (0.57) LMNAPDE5ASMN1; SMN2NPC1RAB9A
SCHEMBL91525 0.90 LMNA (0.70) LMNAPDE5ASMN1; SMN2NPC1RAB9A
SCHEMBL77076 0.81 NPC1 (0.55) LMNASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL4137597 0.80 NPC1 (0.54) LMNASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10078883 0.80 NPC1 (0.54) LMNASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL91408 0.80 PDE5A (0.74) LMNAPDE5ASMN1; SMN2NPC1RAB9A
SCHEMBL91393 0.79 ROCK2 (0.64) LMNAPDE5ASMN1; SMN2NPC1RAB9A
SCHEMBL91614 0.79 LMNA (0.46) LMNASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL93110 0.79 PDE5A (0.76) LMNAPDE5ASMN1; SMN2RAB9AKMT2A
SCHEMBL10084520 0.78 LMNA (0.49) LMNAPDE5ASMN1; SMN2NPC1RAB9A

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
EP-2044052-B1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER IP GMBH (DE) 2013-06-05 EP disclosed
US-8119646-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-8119645-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-11-26 US disclosed
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives BAYER CROPSCIENCE AG (DE) 2009-10-15 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 (2 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-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives HAAO, CYP51A1, CYP8B1 LMNA 2010/4885PDE5A 2244/4885SMN1; SMN2 4458/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 LMNA 2277/4885PDE5A 2041/4885SMN1; SMN2 4328/4885

“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.