SCHEMBL6317435

SCHEMBL6317435

Nc1onc(-c2ccc(Br)s2)c1C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
RECQL P46063 2/20 0.51
TP53 P04637 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
HSP90AA1 P07900 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH2 P05091 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
FAAH O00519 1/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 1/20 0.47
MMP13 P45452 1/20 0.47
HPGD P15428 3/20 0.47
ALOX15 P16050 1/20 0.47
MAPT P10636 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
SCHEMBL6316269 0.90 GAA (0.59) GAARECQLTP53CRHBPCRHR2
SCHEMBL6322630 0.89 LMNA (0.60) GAARECQLTP53CRHBPCRHR2
SCHEMBL6315208 0.88 GAA (0.55) GAARECQLTP53CRHBPCRHR2
SCHEMBL6323982 0.83 PDPK1 (0.42) KMT2A
SCHEMBL6315784 0.82 KMT2A (0.47) GAATP53ALDH1A1MEN1KMT2A
SCHEMBL6324462 0.82 GAA (0.46) GAATP53ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6317057 0.81 ALDH1A1 (0.46) GAAALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL6318468 0.81 ADORA1 (0.45) GAA
SCHEMBL6322797 0.81 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAMAPK1HPGD
SCHEMBL6323626 0.80 TP53 (0.53) TP53ALDH1A1MEN1KMT2ASMN1; 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 2 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
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US 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 GAA 789/4885RECQL 2512/4885TP53 609/4885

“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.