SCHEMBL6403149

SCHEMBL6403149

Cc1ccc(C(=O)NCc2cc(-c3ccccc3)no2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TDP1 Q9NUW8 1/20 0.53
ROCK2 O75116 1/20 0.53
PRKCA P17252 1/20 0.53
GRK2 P25098 1/20 0.53
POLB P06746 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 3/20 0.50
NOTUM Q6P988 1/20 0.50
CYP1A2 P05177 1/20 0.50
KLKB1 P03952 1/20 0.49
KLK1 P06870 1/20 0.49
RORC P51449 1/20 0.49
KDM1A O60341 1/20 0.48
HDAC1 Q13547 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 2/20 0.48

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
SCHEMBL6409325 0.95 NPC1 (0.64) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL6407970 0.94 POLB (0.59) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL6410101 0.91 POLB (0.54) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL6404127 0.89 POLB (0.54) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL6403802 0.89 ROCK2 (0.57) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL6408022 0.88 CYP2E1 (0.53) NPC1RAB9AKMT2ATDP1ROCK2
SCHEMBL6404351 0.88 SMN1; SMN2 (0.57) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL6403578 0.88 EPHX2 (0.54) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL6407394 0.88 LMNA (0.56) NPC1RAB9AROCK2PRKCAGRK2
SCHEMBL6403008 0.88 ALDH1A1 (0.54) NPC1RAB9AMEN1KMT2AROCK2

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 NPC1 1915/4885RAB9A 4044/4885MEN1 3154/4885

“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.