SCHEMBL6318535

SCHEMBL6318535

Cc1ccc(CNC(=O)c2c(-c3ccc(Br)s3)noc2N)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
PDPK1 O15530 1/20 0.39
HSD17B10 Q99714 5/20 0.38
TSHR P16473 4/20 0.38
POLB P06746 4/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 4/20 0.37
PKM P14618 2/20 0.37
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6315332 0.91 CA1 (0.41) ALDH1A1CA1CA2CA4CA7
SCHEMBL6317576 0.89 PDPK1 (0.41) ALDH1A1CA1CA2CA4CA7
SCHEMBL6323820 0.88 CA1 (0.52) ALDH1A1CA1CA2CA4CA7
SCHEMBL6315784 0.83 KMT2A (0.47) ALDH1A1CA1CA2CA4CA7
SCHEMBL6317575 0.82 ALDH1A1 (0.57) ALDH1A1HSD17B10TSHRPOLBHPGD
SCHEMBL6323488 0.82 ALDH1A1 (0.45) ALDH1A1CA1CA2CA4CA7
SCHEMBL6314998 0.82 MAPT (0.44) ALDH1A1CA1CA2CA4CA7
SCHEMBL6324462 0.81 GAA (0.46) ALDH1A1CA1CA2CA4CA7
SCHEMBL6317494 0.81 RAB9A (0.43) ALDH1A1CA1CA2CA4CA7
SCHEMBL6317057 0.80 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDKDM4EMAPT

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 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.