SCHEMBL6318320

SCHEMBL6318320

Nc1onc(-c2ccco2)c1C(=O)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.47
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
RAB9A P51151 4/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 3/20 0.44
HPGD P15428 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL6617134 0.92 ALDH1A1 (0.43) EPHX2ALDH1A1SMN1; SMN2RAB9APKM
SCHEMBL6315847 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL6317235 0.85 RAB9A (0.61) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL6319298 0.83 TSHR (0.56) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL6321635 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9AMAPTMAPK1
SCHEMBL6316308 0.83 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2RAB9APKMMAPT
SCHEMBL6323979 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2RAB9APKMMAPT
SCHEMBL6315656 0.83 CA1 (0.53) EPHX2ALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL6315648 0.83 NPSR1 (0.50) EPHX2ALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL6322264 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2RAB9AMAPTNPC1

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 EPHX2 4156/4885ALDH1A1 4444/4885SMN1; SMN2 2766/4885

“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.