SCHEMBL6405993

SCHEMBL6405993

N#Cc1ccc(C(=O)NCc2cc(CCl)no2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
KDM1A O60341 1/20 0.43
HDAC1 Q13547 1/20 0.43
ROCK2 O75116 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CD274 Q9NZQ7 1/20 0.41
CHRM3 P20309 1/20 0.41
TP53 P04637 1/20 0.41
AR P10275 2/20 0.41
NAMPT P43490 1/20 0.41
MAOA P21397 1/20 0.40
SLC5A7 Q9GZV3 1/20 0.40
IDO1 P14902 1/20 0.40
DRD2 P14416 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
SCHEMBL6404074 0.85 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2ATP53POLB
SCHEMBL6409368 0.84 TDP1 (0.52) ALDH1A1MEN1KMT2ATP53NAMPT
SCHEMBL6405202 0.84 HSP90AA1 (0.47) ALDH1A1ROCK2MEN1KMT2ANAMPT
SCHEMBL6405551 0.84 KMT2A (0.41) EPHX2ALDH1A1MEN1KMT2ANAMPT
SCHEMBL6406614 0.84 NAMPT (0.48) EPHX2ROCK2MEN1KMT2ATP53
SCHEMBL6407737 0.83 HDAC6 (0.49) ALDH1A1HDAC1ROCK2MEN1KMT2A
SCHEMBL6409927 0.83 NPC1 (0.45) ALDH1A1MEN1KMT2ATP53SLC5A7
SCHEMBL6404399 0.82 HSD17B10 (0.48) ALDH1A1ROCK2KMT2A
SCHEMBL6403892 0.81 LMNA (0.49) EPHX2ALDH1A1MEN1KMT2ATP53
SCHEMBL6407783 0.81 MLYCD (0.45) EPHX2PKMKDM1AHDAC1ROCK2

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 EPHX2 2961/4885ALDH1A1 1486/4885PKM 3751/4885

“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.