SCHEMBL6318345

SCHEMBL6318345

N#CCC(=O)NCCC1=CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.59
▸ HPGD P15428 4/20 0.59
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TAAR1 Q96RJ0 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ EPHX1 P07099 1/20 0.52

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
SCHEMBL7783342 0.79 EPHX1 (0.73) ALDH1A1HPGDKMT2ATAAR1SMN1; SMN2
SCHEMBL28226345 0.79 HPGD (0.72) ALDH1A1HPGDMEN1KMT2ATAAR1
SCHEMBL8674157 0.76 TAAR1 (0.61) ALDH1A1HPGDTAAR1SMN1; SMN2MAPT
SCHEMBL12717314 0.76 SMN1; SMN2 (0.64) ALDH1A1HPGDTAAR1SMN1; SMN2MAPT
SCHEMBL9392506 0.74 ALDH1A1 (0.57) ALDH1A1HPGDMEN1KMT2ATAAR1
SCHEMBL9392496 0.74 ALDH1A1 (0.57) ALDH1A1HPGDMEN1KMT2ATAAR1
SCHEMBL28375511 0.73 ALDH1A1 (0.78) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL14521487 0.73 SMN1; SMN2 (0.68) ALDH1A1MEN1KMT2ATAAR1SMN1; SMN2
SCHEMBL30998318 0.73 ALDH1A1 (0.51) ALDH1A1HPGDTAAR1SMN1; SMN2MAPT
SCHEMBL26746541 0.72 ALDH1A1 (0.62) ALDH1A1HPGDMEN1KMT2ATAAR1

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 3 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 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 4444/4885HPGD 2923/4885MEN1 2789/4885

“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.

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