SCHEMBL93095

SCHEMBL93095

CCc1csc(NC(=O)c2ccco2)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.75
▸ RAB9A P51151 12/20 0.73
▸ NPC1 O15118 9/20 0.73
▸ SMN1; SMN2 Q16637 8/20 0.73
▸ HTT P42858 4/20 0.73
▸ LMNA P02545 3/20 0.65
▸ MEN1 O00255 6/20 0.60
▸ KMT2A Q03164 6/20 0.60
▸ MAPT P10636 5/20 0.60
▸ POLB P06746 4/20 0.60
▸ CLK1 P49759 1/20 0.60
▸ MCL1 Q07820 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ KDM4E B2RXH2 2/20 0.58
▸ MAPK1 P28482 2/20 0.57
▸ TP53 P04637 2/20 0.57
▸ CASP3 P42574 1/20 0.57
▸ SENP8 Q96LD8 1/20 0.57
▸ SENP7 Q9BQF6 1/20 0.57
▸ SENP6 Q9GZR1 1/20 0.57

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
SCHEMBL3601123 0.79 RAB9A (0.69) ALDH1A1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL77992 0.79 HTT (0.70) ALDH1A1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL24829776 0.79 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL27754068 0.78 HTT (0.69) ALDH1A1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL91391 0.78 KDM4E (0.69) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL18537754 0.77 HTT (0.67) ALDH1A1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL17107189 0.76 RAB9A (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL17549349 0.76 RAB9A (0.71) ALDH1A1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL92487 0.76 ELOVL1 (0.65) LMNAMEN1KMT2AHSD17B10TP53
SCHEMBL91521 0.75 PDE5A (0.59) ALDH1A1RAB9ANPC1SMN1; SMN2HTT

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 ALDH1A1 1530/4885RAB9A 3465/4885NPC1 3856/4885

“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.

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