SCHEMBL6316679

SCHEMBL6316679

NC(=O)c1c(-c2cccs2)noc1NC(=O)c1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ABCB1 P08183 1/20 0.43
POLB P06746 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
PARP1 P09874 1/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL6317864 0.91 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4ERAB9ANPC1
SCHEMBL6315217 0.88 HTT (0.45) SMN1; SMN2ALDH1A1KDM4ERAB9ANPC1
SCHEMBL6315892 0.87 MAPT (0.50) SMN1; SMN2ALDH1A1KDM4ERAB9ANPC1
SCHEMBL6316642 0.86 LMNA (0.58) SMN1; SMN2ALDH1A1KDM4ERAB9ANPC1
SCHEMBL6314638 0.86 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KDM4ERAB9ANPC1
SCHEMBL6317610 0.84 KDM4E (0.59) SMN1; SMN2ALDH1A1KDM4ERAB9ANPC1
SCHEMBL6316470 0.84 RAB9A (0.43) SMN1; SMN2ALDH1A1KDM4ERAB9ANPC1
SCHEMBL6322937 0.83 CYP1A2 (0.48) SMN1; SMN2ALDH1A1RAB9ANPC1CYP1A2
SCHEMBL6317723 0.83 KMT2A (0.53) ALDH1A1KDM4ERAB9ANPC1TP53
SCHEMBL6316047 0.82 GABRD (0.47) SMN1; SMN2ALDH1A1KDM4ENPC1MEN1

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 8 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-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO 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 SMN1; SMN2 2766/4885ALDH1A1 4444/4885KDM4E 1382/4885

“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.