SCHEMBL6407783

SCHEMBL6407783

O=C(NCc1cc(CCl)no1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.45
POLB P06746 1/20 0.44
LSS P48449 1/20 0.44
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK14 Q16539 1/20 0.43
HDAC1 Q13547 3/20 0.42
KDM1A O60341 2/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
ROCK2 O75116 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 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
SCHEMBL6406614 0.87 NAMPT (0.48) POLBSMN1; SMN2LMNAKMT2AMAPK14
SCHEMBL6404399 0.86 HSD17B10 (0.48) SMN1; SMN2KMT2AMAPK14ROCK2
SCHEMBL6404074 0.86 SMN1; SMN2 (0.51) POLBSMN1; SMN2LMNAKMT2AMAPK14
SCHEMBL6405551 0.85 KMT2A (0.41) POLBSMN1; SMN2KMT2AEPHX2
SCHEMBL6409368 0.85 TDP1 (0.52) POLBSMN1; SMN2LMNAKMT2AMAPK14
SCHEMBL6405202 0.85 HSP90AA1 (0.47) POLBSMN1; SMN2KMT2AROCK2
SCHEMBL6403173 0.84 NPC1 (0.46) MLYCDPOLBLSSSMN1; SMN2EPHX2
SCHEMBL6407737 0.84 HDAC6 (0.49) POLBSMN1; SMN2KMT2AHDAC1ROCK2
SCHEMBL6408033 0.82 NPC1 (0.52) POLBSMN1; SMN2LMNAKMT2AHDAC1
SCHEMBL6403892 0.82 LMNA (0.49) SMN1; SMN2LMNAKMT2AEPHX2TP53

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 MLYCD 2123/4885POLB 3713/4885LSS 19/4885

“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.