SCHEMBL6318170

SCHEMBL6318170

Nc1onc(-c2ccc(Br)s2)c1C(=O)NCc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 2/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
NPC1 O15118 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
TSHR P16473 2/20 0.42
PKM P14618 1/20 0.42
TP53 P04637 1/20 0.41
CHRM4 P08173 1/20 0.41
RAB9A P51151 1/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 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
SCHEMBL6322701 0.90 CA1 (0.54) ALDH1A1KMT2ACA1CA2CA4
SCHEMBL6323533 0.90 ALDH1A1 (0.47) ALDH1A1KMT2ACA1CA2CA4
SCHEMBL6317499 0.88 HPGD (0.41) ALDH1A1CA1CA2CA4CA7
SCHEMBL6323488 0.88 ALDH1A1 (0.45) ALDH1A1CA1CA2CA4CA7
SCHEMBL6317745 0.87 NPC1 (0.44) ALDH1A1KMT2ACA1CA2CA4
SCHEMBL6317715 0.86 ADORA2A (0.42) KMT2ACA1CA2CA4CA7
SCHEMBL6317671 0.85 NPC1 (0.52) ALDH1A1KMT2ANPC1TP53HTT
SCHEMBL6323448 0.85 NTRK1 (0.43) CA1CA2CA4CA7CNR1
SCHEMBL6324462 0.85 GAA (0.46) ALDH1A1KMT2ACA1CA2CA4
SCHEMBL6320130 0.84 CA1 (0.55) ALDH1A1KMT2ACA1CA2CA4

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 ALDH1A1 4444/4885KMT2A 1089/4885CA1 2406/4885

“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.