Sugi Predict

Sugi Predict / Compounds / SCHEMBL3064262

SCHEMBL3064262

SCHEMBL3064262

N=C(N)Nc1nc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ POLB P06746 3/20 0.55
▸ RAB9A P51151 9/20 0.52
▸ NPC1 O15118 7/20 0.52
▸ MAPT P10636 4/20 0.51
▸ MCL1 Q07820 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ FBP1 P09467 1/20 0.45
▸ MMP2 P08253 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ MMP8 P22894 2/20 0.42
▸ MMP13 P45452 2/20 0.42
▸ DAGLA Q9Y4D2 1/20 0.42
▸ SSTR5 P35346 1/20 0.40
▸ CETP P11597 1/20 0.40
▸ CEPT1 Q9Y6K0 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
SCHEMBL22468052 0.90 NPC1 (0.50) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL2141102 0.82 POLB (0.57) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL3748833 0.79 POLB (0.60) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL12095519 0.79 SCD (0.58) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL27093084 0.78 CXCR1 (0.57) MEN1KMT2AALDH1A1POLBRAB9A
SCHEMBL23932824 0.77 IL6 (0.50) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL23932773 0.76 HCRTR1 (0.42) RAB9ANPC1MAPTFBP1DAGLA
SCHEMBL22467975 0.76 FFAR2 (0.53) MEN1KMT2AMAPTFBP1
SCHEMBL23933064 0.76 RAB9A (0.55) KMT2AALDH1A1POLBRAB9ANPC1
SCHEMBL11443651 0.75 MEN1 (0.62) MEN1KMT2AALDH1A1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 — — US disclosed
WO-2021216812-A1 GALACTOKINASE INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-10-28 — — WO disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 — — US disclosed
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2010-02-25 — — US disclosed
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-01-07 — — US disclosed
US-7601745-B2 Heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-10-13 — — US disclosed
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-11-02 — — 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 (5 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB MEN1 4332/4885KMT2A 645/4885ALDH1A1 2954/4885
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKBIA, IKBKB, NFKB2 MEN1 2939/4885KMT2A 2229/4885ALDH1A1 2152/4885
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFRKB, NFKB2 MEN1 4411/4885KMT2A 2789/4885ALDH1A1 2878/4885
US-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR MEN1 3309/4885KMT2A 2760/4885ALDH1A1 3139/4885
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, IKBKB, NFKB2 MEN1 2958/4885KMT2A 2705/4885ALDH1A1 2147/4885

“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.