SCHEMBL6320752

SCHEMBL6320752

Cc1ccsc1-c1noc(N)c1C(=O)NCC1CCCO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.52
ALDH1A1 P00352 7/20 0.52
TSHR P16473 2/20 0.52
HPGD P15428 9/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
TP53 P04637 1/20 0.50
ATM Q13315 1/20 0.50
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MCL1 Q07820 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 2/20 0.47
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL6318769 0.89 NPSR1 (0.42) HIF1AALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL6322197 0.88 ALDH1A1 (0.42) HIF1AALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL6324704 0.81 SMN1; SMN2 (0.60) HIF1AALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL6315866 0.81 KMT2A (0.46) ALDH1A1TSHRHPGDSMN1; SMN2RAB9A
SCHEMBL6317149 0.81 KMT2A (0.43) ALDH1A1TSHRHPGDSMN1; SMN2RAB9A
SCHEMBL6315616 0.80 KMT2A (0.47) ALDH1A1TSHRHPGDSMN1; SMN2RAB9A
SCHEMBL6324296 0.80 KMT2A (0.47) ALDH1A1TSHRHPGDSMN1; SMN2RAB9A
SCHEMBL6322906 0.80 GAA (0.42) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL6315672 0.79 POLB (0.41) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL6324184 0.79 ALDH1A1 (0.44) HIF1AALDH1A1TSHRHPGDSMN1; SMN2

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 7 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
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN 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 HIF1A 3267/4885ALDH1A1 4444/4885TSHR 3971/4885

“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.