SCHEMBL6324489

SCHEMBL6324489

Nc1onc(-c2ccc(Br)s2)c1C(=O)NC1CCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 5/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
MEN1 O00255 3/20 0.42
TP53 P04637 3/20 0.41
MDM2 Q00987 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
S1PR1 P21453 2/20 0.41
TSHR P16473 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR1 P03372 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
SCHEMBL6318290 1.00 ALDH1A1 (0.50) ALDH1A1HPGDPOLBTDP1KMT2A
SCHEMBL6321143 0.99 HPGD (0.51) ALDH1A1HPGDPOLBTDP1KMT2A
SCHEMBL6324536 0.97 ALDH1A1 (0.48) ALDH1A1HPGDPOLBTDP1KMT2A
SCHEMBL6323035 0.88 KMT2A (0.49) ALDH1A1HPGDPOLBKMT2ANPC1
SCHEMBL6317748 0.88 KMT2A (0.49) ALDH1A1HPGDPOLBKMT2ANPC1
SCHEMBL6323378 0.87 CA1 (0.56) KMT2ANPC1RAB9AMEN1TP53
SCHEMBL6317453 0.87 CA1 (0.56) KMT2ANPC1RAB9AMEN1TP53
SCHEMBL6316433 0.86 CA1 (0.39) ALDH1A1HPGDPOLBTDP1KMT2A
SCHEMBL6317383 0.86 KMT2A (0.47) ALDH1A1HPGDPOLBKMT2ANPC1
SCHEMBL6323501 0.85 CA1 (0.57) ALDH1A1HPGDKMT2ANPC1RAB9A

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 4444/4885HPGD 2923/4885POLB 872/4885

“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.