SCHEMBL6323626

SCHEMBL6323626

COc1ccc(CNC(=O)c2c(-c3ccc(Br)s3)noc2N)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.47
LMNA P02545 3/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.46
MDM2 Q00987 1/20 0.46
RAB9A P51151 2/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.44
CHRM4 P08173 1/20 0.43

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
SCHEMBL6322456 0.90 SMN1; SMN2 (0.53) TP53RXFP1MAPTALDH1A1HPGD
SCHEMBL6316367 0.90 MAPT (0.52) TP53RXFP1MAPTALDH1A1HPGD
SCHEMBL6315784 0.89 KMT2A (0.47) TP53RXFP1MAPTALDH1A1HPGD
SCHEMBL6317131 0.88 MAPT (0.48) TP53MAPTALDH1A1HPGDLMNA
SCHEMBL6314681 0.88 MAPT (0.52) TP53RXFP1MAPTALDH1A1HPGD
SCHEMBL6321659 0.87 EPHX2 (0.43) TP53RXFP1SMN1; SMN2
SCHEMBL6324462 0.86 GAA (0.46) TP53RXFP1MAPTALDH1A1HPGD
SCHEMBL6316417 0.84 HDAC1 (0.43) RXFP1SMN1; SMN2CHRM4
SCHEMBL6317671 0.82 NPC1 (0.52) TP53RXFP1MAPTALDH1A1HPGD
SCHEMBL6323982 0.82 PDPK1 (0.42) RXFP1KMT2AATMCHRM4

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 TP53 609/4885RXFP1 4558/4885MAPT 281/4885

“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.