SCHEMBL6318286

SCHEMBL6318286

COc1ccc(C(=O)Nc2onc(-c3c(C)nn(-c4ccccc4)c3C)c2C(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
CDKN1A P38936 1/20 0.49
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 2/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6315963 0.89 ALDH1A1 (0.48) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL6318278 0.89 HTT (0.44) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL6315832 0.89 CA1 (0.43) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL6316394 0.89 KMT2A (0.48) ALDH1A1LMNANPC1MAPTCA1
SCHEMBL6317739 0.88 LMNA (0.46) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL6315794 0.88 KDM4E (0.49) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL6317167 0.87 NR3C1 (0.42) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL6321867 0.83 WNT3A (0.41) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL6316791 0.83 ALDH1A1 (0.46) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL6317182 0.83 ALDH1A1 (0.46) ALDH1A1LMNANPC1RAB9AMAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US claimed
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
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US disclosed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
US-6838129-B2 Method and device for transporting an electrical charge NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2005-01-04 US disclosed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US disclosed
US-20030160211-A1 Method and device for transporting an electrical charge NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2003-08-28 US 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 (2 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 4444/4885LMNA 3334/4885CDKN1A 402/4885
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections HAVCR2, ZC3HAV1, MAVS ALDH1A1 245/4885LMNA 2582/4885CDKN1A 1171/4885

“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.