SCHEMBL6323150

SCHEMBL6323150

CCCCCNC(=O)c1c(-c2ccc(Br)s2)noc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.43
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ESR1 P03372 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 4/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
TP53 P04637 4/20 0.41
MAPT P10636 2/20 0.41
NCOR2 Q9Y618 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL6315933 0.99 KDM4E (0.44) RXFP1GAANPSR1KDM4EESR1
SCHEMBL6316264 0.99 KDM4E (0.44) RXFP1GAANPSR1KDM4EESR1
SCHEMBL6315650 0.99 KDM4E (0.44) RXFP1GAANPSR1KDM4EESR1
SCHEMBL6324099 0.97 CA1 (0.41) RXFP1GAANPSR1KDM4EESR1
SCHEMBL6317494 0.92 RAB9A (0.43) RXFP1GAANPSR1KDM4EESR1
SCHEMBL6318198 0.91 RXFP1 (0.46) RXFP1GAANPSR1KDM4EESR1
SCHEMBL6321826 0.89 GAA (0.43) GAAALOX15CA1CA2CA4
SCHEMBL6317440 0.88 RXFP1 (0.41) RXFP1GAANPSR1KDM4EESR1
SCHEMBL6319057 0.88 ALOX15 (0.43) GAAHPGDALOX15CA1CA2
SCHEMBL6322769 0.88 ALOX15 (0.43) GAAHPGDALOX15CA1CA2

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 RXFP1 4558/4885GAA 789/4885NPSR1 4399/4885

“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.