SCHEMBL3113306

SCHEMBL3113306

N#Cc1c(-c2ccc([N+](=O)[O-])cc2)noc1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
LMNA P02545 5/20 0.46
MAPT P10636 6/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
IKBKB O14920 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 1/20 0.40
MAPK1 P28482 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
SCHEMBL18956147 0.77 HPGD (0.52) HTTHPGDTP53CA1CA2
SCHEMBL1320097 0.75 ABCC8 (0.48) HTTHPGDLMNAMAPTALDH1A1
SCHEMBL4468508 0.74 ALDH1A1 (0.46) HTTHPGDLMNAMAPTALDH1A1
SCHEMBL3117627 0.72 IKBKB (0.47) HPGDCA1CA2LMNAMAPT
SCHEMBL1318935 0.72 IKBKB (0.45) HTTLMNAMAPTALDH1A1MEN1
SCHEMBL4257428 0.69 IKBKB (0.42) HTTLMNAMAPTALDH1A1MEN1
SCHEMBL659899 0.69 CA12 (0.49) HTTCA1CA2LMNAMAPT
SCHEMBL1548117 0.69 MAPT (0.64) TP53CA1CA2LMNAMAPT
SCHEMBL29024294 0.68 VCAM1 (0.43) HPGDCA2LMNAMAPTALDH1A1
SCHEMBL13946587 0.68 MEN1 (0.47) LMNAMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829570-B2 Substituted 4-amino isoxazolo[5,4-d]pyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2010-11-09 US disclosed
US-20100041676-A1 Kinase inhibitors ABBVIE INC. 2010-02-18 US disclosed
US-20030225098-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-12-04 US disclosed
US-20030199525-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-23 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 (3 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-20030199525-A1 Kinase inhibitors MAP3K19, MAP3K9, MAP3K1 HTT 4872/4885HPGD 2157/4885TP53 641/4885
US-20030225098-A1 Kinase inhibitors MAP3K19, MAP3K9, MAP3K1 HTT 4869/4885HPGD 2060/4885TP53 668/4885
US-20100041676-A1 Kinase inhibitors MAP3K19, MAP3K20, MAP3K6 HTT 4874/4885HPGD 3190/4885TP53 514/4885

“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.