SCHEMBL6404399

SCHEMBL6404399

O=C(NCc1cc(CCl)no1)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.44
ROCK2 O75116 3/20 0.43
PRKCA P17252 2/20 0.43
GRK2 P25098 2/20 0.43
NAAA Q02083 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 1/20 0.42
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MPO P05164 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
RPS6KA5 O75582 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL6407737 0.88 HDAC6 (0.49) KMT2AROCK2PRKCAGRK2SMN1; SMN2
SCHEMBL6404074 0.86 SMN1; SMN2 (0.51) L3MBTL1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL6407783 0.86 MLYCD (0.45) KMT2AROCK2SMN1; SMN2MAPK14
SCHEMBL6409368 0.85 TDP1 (0.52) L3MBTL1KMT2ASMN1; SMN2CYP3A4KDM4E
SCHEMBL6405202 0.85 HSP90AA1 (0.47) L3MBTL1KMT2AROCK2SMN1; SMN2ALDH1A1
SCHEMBL6405551 0.85 KMT2A (0.41) L3MBTL1KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL6406614 0.85 NAMPT (0.48) L3MBTL1KMT2AROCK2SMN1; SMN2CYP3A4
SCHEMBL6408033 0.83 NPC1 (0.52) KMT2AROCK2SMN1; SMN2RPS6KA5MAP4K4
SCHEMBL6403892 0.83 LMNA (0.49) KMT2ASMN1; SMN2CYP1A2CYP2D6MAPK1
SCHEMBL6402390 0.82 FABP4 (0.44) L3MBTL1KMT2ASMN1; SMN2CYP1A2CYP2C19

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 HSD17B10 191/4885L3MBTL1 607/4885KMT2A 986/4885

“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.