SCHEMBL6317138

SCHEMBL6317138

Nc1onc(-c2ccc(Cl)s2)c1C(=O)NCc1ccco1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA7 P43166 1/20 0.53
ALOX15 P16050 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
HSD17B10 Q99714 2/20 0.52
POLB P06746 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
APEX1 P27695 1/20 0.52
RECQL P46063 1/20 0.52
BCL2L1 Q07817 1/20 0.52
MCL1 Q07820 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 3/20 0.50
USP2 O75604 1/20 0.50

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
SCHEMBL6315588 0.88 TSHR (0.57) ALDH1A1ALOX15KMT2AMAPTHSD17B10
SCHEMBL6317575 0.88 ALDH1A1 (0.57) ALDH1A1ALOX15KMT2AMAPTHSD17B10
SCHEMBL6316605 0.87 ALDH1A1 (0.54) ALDH1A1ALOX15KMT2AMAPTHSD17B10
SCHEMBL6316598 0.84 CA1 (0.56) ALDH1A1CA1CA2CA4CA7
SCHEMBL6323820 0.82 CA1 (0.52) ALDH1A1CA1CA2CA4CA7
SCHEMBL6316464 0.82 HPGD (0.56) ALDH1A1CA1CA2CA4CA7
SCHEMBL6322701 0.82 CA1 (0.54) ALDH1A1CA1CA2CA4CA7
SCHEMBL6316732 0.81 RAB9A (0.59) ALDH1A1ALOX15KMT2AMAPTHSD17B10
SCHEMBL6320130 0.80 CA1 (0.55) ALDH1A1CA1CA2CA4CA7
SCHEMBL6316785 0.80 CA1 (0.52) ALDH1A1CA1CA2CA4CA7

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 ALDH1A1 4444/4885CA1 2406/4885CA2 2764/4885

“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.