SCHEMBL14948949

SCHEMBL14948949

OCc1nc(-c2ccc(F)cc2)no1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.70
NPC1 O15118 2/20 0.64
HTT P42858 1/20 0.64
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
SIRT2 Q8IXJ6 2/20 0.62
HDAC8 Q9BY41 3/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
S1PR1 P21453 1/20 0.52
MAPT P10636 3/20 0.50
FFAR1 O14842 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TNKS2 Q9H2K2 1/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL5356293 0.82 NOTUM (1.00) NOTUMNPC1HTTRAB9ASMN1; SMN2
SCHEMBL6527881 0.82 NOTUM (0.70) NOTUMNPC1HTTRAB9ASMN1; SMN2
SCHEMBL31049642 0.82 NOTUM (0.70) NOTUMNPC1HTTRAB9ASMN1; SMN2
SCHEMBL26232436 0.82 NPC1 (0.73) NOTUMNPC1HTTRAB9ASMN1; SMN2
SCHEMBL2107628 0.82 NPC1 (0.64) NOTUMNPC1HTTRAB9ASMN1; SMN2
SCHEMBL28912728 0.82 SIRT2 (0.71) NOTUMNPC1HTTRAB9ASMN1; SMN2
SCHEMBL17595755 0.81 NOTUM (1.00) NOTUMNPC1RAB9ASMN1; SMN2S1PR1
SCHEMBL6504714 0.81 S1PR1 (0.65) NOTUMSIRT2HDAC8HDAC1HDAC2
SCHEMBL4522502 0.80 NOTUM (0.71) NOTUMNPC1HTTRAB9ASMN1; SMN2
SCHEMBL6528506 0.79 NOTUM (0.66) NOTUMNPC1HTTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123105-A1 Herbicidal Isoxazolo[5,4-B]pyridines BASF SE (DE) 2013-05-16 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-20130123105-A1 Herbicidal Isoxazolo[5,4-B]pyridines CYP4X1, PNPO, PRDX4 NOTUM 1461/4885NPC1 4803/4885HTT 2416/4885

“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.