SCHEMBL6316137

SCHEMBL6316137

NC(=O)c1c(-c2ccc3ccccc3n2)noc1NC(=O)CCC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMO Q99835 3/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LDLR P01130 1/20 0.38
POLB P06746 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL6316802 0.84 MAP4K4 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL6319257 0.82 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6321948 0.82 RAB9A (0.55) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL6322010 0.82 ADORA1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6318523 0.81 ADORA1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6315987 0.81 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HPGDSMO
SCHEMBL6322895 0.79 SMN1; SMN2 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6317899 0.78 KMT2A (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6315733 0.78 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6317371 0.75 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 ALDH1A1 4444/4885NPC1 3741/4885RAB9A 1754/4885

“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.