SCHEMBL6317751

SCHEMBL6317751

CCCC(CCC)C(=O)Nc1onc(-c2nccs2)c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSPA5 P11021 2/20 0.36
FFAR2 O15552 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL6318529 0.91 TDP1 (0.40) LMNAHSPA5FFAR2ALDH1A1KDM4E
SCHEMBL6318389 0.81 ALDH1A1 (0.43) THRBHSPA5ALDH1A1KDM4ECA1
SCHEMBL6317093 0.80 ADORA2A (0.42) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6317564 0.79 MLYCD (0.42) LMNAALDH1A1KDM4ECA1CA2
SCHEMBL6316288 0.78 RET (0.40) LMNATHRBALDH1A1KDM4ECA1
SCHEMBL6318201 0.78 RET (0.40) ALDH1A1CA1CA2TAS1R3TAS1R1
SCHEMBL6323617 0.78 ADORA2A (0.41) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6316058 0.78 NPC1 (0.38) LMNATHRBALDH1A1KDM4ESMN1; SMN2
SCHEMBL6315537 0.77 HDAC1 (0.43) LMNATHRBCYP2C9CYP2C19SMN1; SMN2
SCHEMBL6317526 0.76 ALDH1A1 (0.36) LMNACYP2C9ALDH1A1

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 LMNA 3334/4885THRB 2605/4885CYP1A2 4402/4885

“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.