SCHEMBL6402219

SCHEMBL6402219

Cc1cccc(C(=O)NCc2cc(C(=O)Nc3ccccc3)no2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
KCNK3 O14649 3/20 0.54
KCNK9 Q9NPC2 3/20 0.54
PPARG P37231 1/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MAPK1 P28482 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
KCNH2 Q12809 1/20 0.51
NT5E P21589 1/20 0.50
TP53 P04637 2/20 0.49
FFAR1 O14842 1/20 0.49
GLA P06280 1/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
RORC P51449 1/20 0.48
RXFP1 Q9HBX9 1/20 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
SCHEMBL6402278 0.89 HDAC6 (0.57) POLBNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL6410519 0.88 NPC1 (0.59) POLBPPARGNPC1RAB9AMAPK1
SCHEMBL6403903 0.82 PPARG (0.55) POLBKMT2APPARGNPC1RAB9A
SCHEMBL6402495 0.81 HPGD (0.56) POLBKCNK3KCNK9PPARGNPC1
SCHEMBL6408049 0.81 NPC1 (0.55) POLBMEN1KMT2AKCNK9NPC1
SCHEMBL6403554 0.80 POLB (0.58) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL259666 0.77 KCNK3 (0.87) POLBMEN1KMT2AKCNK3KCNK9
SCHEMBL30608967 0.77 KCNK3 (0.87) POLBMEN1KMT2AKCNK3KCNK9
SCHEMBL6407778 0.76 HSD17B10 (0.62) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL6403162 0.75 POLB (0.54) POLBMEN1KMT2ANPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528737-B Novel heteroaryl carboxamides HOFFMANN LA ROCHE 2012-07-04 CN disclosed
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 POLB 3713/4885MEN1 3154/4885KMT2A 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.