SCHEMBL6316445

SCHEMBL6316445

Nc1onc(-c2coc3ccccc23)c1C(=O)NC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
HIF1A Q16665 1/20 0.51
KMT2A Q03164 5/20 0.49
RAB9A P51151 9/20 0.42
NPC1 O15118 8/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NR1I2 O75469 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
AHR P35869 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 2/20 0.40
CASP1 P29466 2/20 0.40
HSD17B10 Q99714 2/20 0.40
S1PR1 P21453 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6322682 0.99 MAOB (0.54) MAOBHIF1AKMT2ARAB9ANPC1
SCHEMBL6325219 0.99 MAOB (0.54) MAOBHIF1AKMT2ARAB9ANPC1
SCHEMBL6320666 0.98 MAOB (0.49) MAOBHIF1AKMT2ARAB9ANPC1
SCHEMBL6319161 0.87 TAS1R3 (0.47) MAOBHIF1AKMT2APOLBALDH1A1
SCHEMBL6318543 0.85 MAOB (0.60) MAOB
SCHEMBL6316272 0.84 P2RX7 (0.42) MAOBHIF1ANPC1ALDH1A1TSHR
SCHEMBL6318489 0.84 KDM4E (0.47) KMT2ARAB9AMEN1KDM4EALDH1A1
SCHEMBL6316864 0.83 RECQL (0.53) KMT2ARAB9ANPC1POLBKDM4E
SCHEMBL6315929 0.82 RECQL (0.46) RAB9ANPC1KDM4EALDH1A1HTT
SCHEMBL6316005 0.82 HIF1A (0.42) HIF1ARAB9ANPC1ALDH1A1TSHR

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 MAOB 1851/4885HIF1A 3267/4885KMT2A 1089/4885

“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.