SCHEMBL6316265

SCHEMBL6316265

CCCCCC(C)NC(=O)c1c(-c2ccc(-c3cccc(Cl)c3)o2)noc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
C3AR1 Q16581 1/20 0.40
TP53 P04637 3/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
GHSR Q92847 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
S1PR4 O95977 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6323369 0.99 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDC3AR1TP53
SCHEMBL885511 0.92 C3AR1 (0.41) ALDH1A1KDM4EHPGDC3AR1TP53
SCHEMBL6315497 0.90 TP53 (0.46) ALDH1A1KDM4EC3AR1TP53MAPK1
SCHEMBL6323703 0.87 CNR2 (0.43) ALDH1A1C3AR1TP53MAPK1RAB9A
SCHEMBL6318574 0.87 CYP1A2 (0.47) ALDH1A1KDM4EHPGDTP53CYP1A2
SCHEMBL6323341 0.87 MAPT (0.46) HPGDC3AR1TP53MAPTSMN1; SMN2
SCHEMBL6315255 0.86 CYP1A2 (0.46) ALDH1A1KDM4EHPGDTP53CYP1A2
SCHEMBL6318878 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTP53MAPK1
SCHEMBL6318123 0.86 MLLT1 (0.44) ALDH1A1HPGDTP53MAPK1RAB9A
SCHEMBL6318295 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDTP53MAPK1

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 4444/4885KDM4E 1382/4885HPGD 2923/4885

“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.