SCHEMBL6318389

SCHEMBL6318389

CCCC(CCC)C(=O)Nc1onc(-c2cccs2)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 3/20 0.43
RET P07949 1/20 0.41
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSPA5 P11021 1/20 0.37
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.36
HDAC2 Q92769 2/20 0.36

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
SCHEMBL6315246 0.91 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10RET
SCHEMBL6317632 0.83 ADORA2A (0.53) ALDH1A1KDM4EHPGDHSD17B10RET
SCHEMBL6317564 0.82 MLYCD (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6318201 0.81 RET (0.40) ALDH1A1HSD17B10RETMAPTCA1
SCHEMBL6317751 0.81 LMNA (0.37) ALDH1A1KDM4ETHRBCA1CA2
SCHEMBL6315274 0.81 ADORA2A (0.46) ALDH1A1KDM4EHSD17B10RETMAPT
SCHEMBL6318172 0.81 NPC1 (0.50) ALDH1A1KDM4EHPGDHSD17B10RET
SCHEMBL6315136 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10RET
SCHEMBL6316288 0.79 RET (0.40) ALDH1A1KDM4ERETTP53THRB
SCHEMBL6318092 0.78 ALDH1A1 (0.42) ALDH1A1KDM4ERETCA1CA2

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 9 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
EP-1525225-A1 METHOD FOR PREPARING A WATER-SWELLING GEL AND USE THEREOF UNIVERSITE DES SCIENCES ET TECHNOLOGIES DE LILLE (FR) 2005-04-27 EP disclosed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
US-6855698-B2 Topoisomerase I selective cytotoxic sugar derivatives of indolopyrrolocarbazoles BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-15 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003104287-A1 METHOD FOR PREPARING A WATER-SWELLING GEL AND USE THEREOF UNIVERSITE DES SCIENCES ET TECHNOLOGIES DE LILLE (FR) 2003-12-18 WO 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 4444/4885KDM4E 1382/4885HPGD 2923/4885

“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.