SCHEMBL91554

SCHEMBL91554

CCc1csc(NC(=O)Oc2ccc(Cl)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.53
PDE1A P54750 2/20 0.53
PDE1B Q01064 2/20 0.53
PDE1C Q14123 2/20 0.53
MAPT P10636 8/20 0.52
RAB9A P51151 3/20 0.51
PKM P14618 2/20 0.51
NPC1 O15118 2/20 0.51
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KCNH2 Q12809 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL10081817 0.88 TP53 (0.54) MAPTRAB9APKMNPC1SMN1; SMN2
SCHEMBL10081944 0.88 MAPT (0.52) MAPTRAB9APKMNPC1SMN1; SMN2
SCHEMBL91572 0.86 RAB9A (0.66) PDE5AMAPTRAB9APKMNPC1
SCHEMBL78768 0.79 FFAR2 (0.60) MAPTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL2175797 0.75 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL91587 0.75 MAPK1 (0.63) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL91510 0.74 MEN1 (0.53) MAPTRAB9APKMNPC1KDM4E
SCHEMBL2612387 0.74 SMN1; SMN2 (0.73) MAPTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL10081941 0.73 MAPK1 (0.57) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL14350428 0.73 KMT2A (0.58) PDE5ASMN1; SMN2KMT2ACYP1A2CYP2C19

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-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 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 (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-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 PDE5A 2389/4885PDE1A 3099/4885PDE1B 3005/4885

“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.