SCHEMBL6323442

SCHEMBL6323442

Nc1onc(-c2ccc(Br)s2)c1C(=O)NCC1CCCO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 5/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 7/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.45
ATM Q13315 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL6318178 0.88 CA1 (0.42) MCL1RAB9AHIF1A
SCHEMBL6318785 0.88 MEN1 (0.41) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL6324536 0.80 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL6321143 0.80 HPGD (0.51) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL6324489 0.79 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1TSHRHPGD
SCHEMBL6318290 0.79 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1TSHRHPGD
SCHEMBL6317494 0.78 RAB9A (0.43) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL6320752 0.78 HIF1A (0.52) MCL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL6322750 0.78 CA1 (0.44) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL6323087 0.78 RAB9A (0.44) KMT2AMEN1ALDH1A1HPGDRAB9A

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 MCL1 584/4885KMT2A 1089/4885MEN1 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.