SCHEMBL6403360

SCHEMBL6403360

O=C(NCc1cc(-c2ccccc2)no1)Nc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CDK2 P24941 1/20 0.50
FLT4 P35916 1/20 0.50
CYP2E1 P05181 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP2B6 P20813 1/20 0.50
ROCK2 O75116 1/20 0.49
PRKCA P17252 1/20 0.49
GRK2 P25098 1/20 0.49
ALDH1A1 P00352 4/20 0.47
PKM P14618 2/20 0.47
NAMPT P43490 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 1/20 0.47
FPR2 P25090 1/20 0.46
NPC1 O15118 2/20 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
SCHEMBL6408055 0.87 HTT (0.54) L3MBTL1SMN1; SMN2ROCK2PRKCAGRK2
SCHEMBL6405193 0.82 MAPT (0.62) L3MBTL1CYP2C19SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3606928 0.82 CYP2C9 (0.62) L3MBTL1CYP2C9CYP2C19SMN1; SMN2CYP2E1
SCHEMBL6405937 0.81 NPC1 (0.56) L3MBTL1SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL20791734 0.81 ROCK2 (0.59) CYP2C9CYP2C19SMN1; SMN2CYP2E1CYP2A6
SCHEMBL6408040 0.81 POLB (0.62) L3MBTL1CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL5658056 0.80 TRPV1 (0.58)
SCHEMBL6405148 0.80 NAMPT (0.53) L3MBTL1CYP2C9SMN1; SMN2ALDH1A1NAMPT
SCHEMBL6402683 0.79 NTRK1 (0.48) L3MBTL1SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL6401623 0.77 NOTUM (0.61) L3MBTL1CYP2C19SMN1; SMN2ROCK2PRKCA

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-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide SDS BIOTECH K.K. (JP) 2005-08-04 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-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide AHR, ERG28, CYP1A2 SIRT2 973/4885L3MBTL1 607/4885CYP2C9 188/4885

“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.