SCHEMBL6402390

SCHEMBL6402390

O=C(NCc1cc(CCl)no1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.44
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
JAK2 O60674 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
WDR5 P61964 2/20 0.42
POLB P06746 1/20 0.41
P2RX7 Q99572 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PLA2G1B P04054 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40

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
SCHEMBL6408021 0.89 BCHE (0.42) RAB9ASMN1; SMN2JAK2ALDH1A1HTT
SCHEMBL6404074 0.88 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2JAK2ALDH1A1HTT
SCHEMBL6403548 0.87 KDM4E (0.53) SMN1; SMN2ALDH1A1POLBP2RX7KMT2A
SCHEMBL6407737 0.83 HDAC6 (0.49) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL6407951 0.83 HDAC4 (0.54) RAB9AHTTPOLBKMT2AMEN1
SCHEMBL6404399 0.82 HSD17B10 (0.48) SMN1; SMN2ALDH1A1L3MBTL1KMT2ACYP1A2
SCHEMBL6409368 0.81 TDP1 (0.52) RAB9ASMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL6405202 0.81 HSP90AA1 (0.47) RAB9ASMN1; SMN2JAK2ALDH1A1HTT
SCHEMBL6406614 0.81 NAMPT (0.48) RAB9ASMN1; SMN2L3MBTL1POLBKMT2A
SCHEMBL6405551 0.81 KMT2A (0.41) RAB9ASMN1; SMN2JAK2ALDH1A1HTT

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 FABP4 4848/4885RAB9A 4044/4885SMN1; SMN2 4458/4885

“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.