SCHEMBL91499

SCHEMBL91499

CCCC(=O)Nc1nc(CC)cs1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.68
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
PDE5A O76074 2/20 0.59
ALDH1A1 P00352 6/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.54
LMNA P02545 3/20 0.54
POLB P06746 1/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL91408 0.89 PDE5A (0.74) GAACYP1A2CYP2C19PDE5AALDH1A1
SCHEMBL93110 0.88 PDE5A (0.76) GAACYP1A2CYP2C19PDE5AALDH1A1
SCHEMBL9835391 0.88 SMN1; SMN2 (0.68) GAACYP1A2CYP2C19PDE5AALDH1A1
SCHEMBL10084854 0.85 PDE5A (0.57) GAACYP1A2CYP2C19PDE5AALDH1A1
SCHEMBL92485 0.85 GAA (0.55) GAACYP1A2CYP2C19PDE5AALDH1A1
SCHEMBL14350428 0.84 KMT2A (0.58) GAACYP1A2CYP2C19PDE5ASMN1; SMN2
SCHEMBL1846537 0.82 CYP1A2 (0.68) GAACYP1A2CYP2C19ALDH1A1RAB9A
SCHEMBL10084284 0.82 MEN1 (0.67) CYP1A2CYP2C19PDE5AALDH1A1RAB9A
SCHEMBL9232215 0.82 GAA (1.00) GAACYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL2612387 0.81 SMN1; SMN2 (0.73) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
US-8119645-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-8119646-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
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 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 (3 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-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 GAA 677/4885CYP1A2 15/4885CYP2C19 51/4885
US-20090258875-A1 Fungicide Hydroximoyl-Tetrazole Derivatives HAAO, CYP51A1, CYP8B1 GAA 941/4885CYP1A2 15/4885CYP2C19 50/4885
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 GAA 679/4885CYP1A2 17/4885CYP2C19 54/4885

“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.