Sugi Predict

Sugi Predict / Compounds / SCHEMBL6315255

SCHEMBL6315255

SCHEMBL6315255

CCCCCCC(C)NC(=O)c1c(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)noc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MLYCD O95822 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ SLC9A1 P19634 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL6318574 0.99 CYP1A2 (0.47) CYP1A2CYP2C19ALDH1A1KMT2AHPGD
SCHEMBL6317069 0.93 CYP1A2 (0.49) CYP1A2CYP2C19ALDH1A1KMT2AHPGD
SCHEMBL884334 0.92 CYP1A2 (0.48) CYP1A2CYP2C19ALDH1A1KMT2AHPGD
SCHEMBL6323369 0.87 ALDH1A1 (0.41) CYP1A2CYP2C19ALDH1A1HPGDKDM4E
SCHEMBL6319097 0.87 CYP1A2 (0.50) CYP1A2CYP2C19ALDH1A1KMT2AHPGD
SCHEMBL6315379 0.87 CYP1A2 (0.48) CYP1A2CYP2C19ALDH1A1KMT2AHPGD
SCHEMBL6316265 0.86 ALDH1A1 (0.42) CYP1A2CYP2C19ALDH1A1HPGDKDM4E
SCHEMBL6323801 0.86 HDAC6 (0.47) CYP1A2CYP2C19ALDH1A1KMT2AHPGD
SCHEMBL6318133 0.86 HDAC6 (0.47) CYP1A2CYP2C19ALDH1A1KMT2AHPGD
SCHEMBL6318701 0.86 HDAC6 (0.47) CYP1A2CYP2C19ALDH1A1KMT2AHPGD

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 CYP1A2 4402/4885CYP2C19 3888/4885ALDH1A1 4444/4885

“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.