Sugi Predict

Sugi Predict / Compounds / SCHEMBL2249706

SCHEMBL2249706

SCHEMBL2249706

CNc1ccc(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 2/20 0.58
▸ KAT2B Q92831 1/20 0.58
▸ MAPT P10636 6/20 0.56
▸ KMT2A Q03164 3/20 0.55
▸ HCAR3 P49019 1/20 0.54
▸ RAB9A P51151 3/20 0.52
▸ HTT P42858 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ MERTK Q12866 1/20 0.50
▸ CDC25B P30305 1/20 0.46
▸ LRRK2 Q5S007 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44

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
SCHEMBL429783 0.87 VCAM1 (0.54) VCAM1KAT2BMAPTKMT2AHCAR3
SCHEMBL5858964 0.85 HCAR3 (0.55) VCAM1KAT2BMAPTKMT2AHCAR3
SCHEMBL483782 0.83 HCAR3 (0.54) VCAM1KAT2BMAPTKMT2AHCAR3
SCHEMBL9631735 0.83 KAT2B (0.62) VCAM1KAT2BMAPTKMT2ARAB9A
SCHEMBL11069549 0.83 VCAM1 (0.58) VCAM1KAT2BMAPTKMT2ARAB9A
SCHEMBL11401025 0.83 VCAM1 (0.58) VCAM1KAT2BMAPTKMT2ARAB9A
SCHEMBL7184389 0.83 MAPT (0.55) VCAM1KAT2BMAPTKMT2ARAB9A
SCHEMBL2080430 0.83 KAT2B (0.65) VCAM1KAT2BMAPTKMT2AHCAR3
SCHEMBL14859080 0.82 MAPT (0.58) VCAM1KAT2BMAPTKMT2ARAB9A
SCHEMBL1552885 0.81 MAPT (0.59) VCAM1KAT2BMAPTKMT2ARAB9A

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731306-A1 CYSTOBACTAMID DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2026-04-29 — — EP disclosed
WO-2025003147-A1 CYSTOBACTAMID DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2025-01-02 — — WO disclosed
US-12091407-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2024-09-17 — — US disclosed
US-20240018129-A1 COMPOUNDS AS PU. 1 INHIBITORS S-Infinity Pharmaceuticals (CN) 2024-01-18 — — US disclosed
US-20240018129-A1 COMPOUNDS AS PU. 1 INHIBITORS S-Infinity Pharmaceuticals (CN) 2024-01-18 — — US disclosed
CN-117203198-A Compounds as PU.1 inhibitors 浙江星浩澎博医药有限公司 2023-12-08 — — CN disclosed
US-20230312548-A1 SUBSTITUTE FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC 2023-10-05 — — US disclosed
EP-4247805-A1 COMPOUNDS AS PU. 1 INHIBITORS S-Infinity Pharmceuticals (CN) 2023-09-27 — — EP disclosed
US-11649230-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2023-05-16 — — US disclosed
CN-112824402-B Benzimidazole derivative, preparation method and application thereof 浙江省化工研究院有限公司 2023-02-28 — — CN disclosed
US-7115640-B2 Heterocyclic modulators of nuclear receptors X-CEPTOR THERAPEUTICS, INC. (US) 2006-10-03 — — US disclosed
EP-1465882-A4 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2005-04-06 — — EP disclosed
CN-1186322-C Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2005-01-26 — — CN disclosed
EP-1465882-A2 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2004-10-13 — — EP disclosed
US-20040180942-A1 Heterocyclic modulators of nuclear receptors X-CEPTOR THERAPEUTICS, INC. 2004-09-16 — — US disclosed
US-6696473-B2 THIAZOLIDINONE DERIVATIVES; MODULATING CHOLESTEROL METABOLISM X-CEPTOR THERAPEUTICS, INC. 2004-02-24 — — US disclosed
WO-2003060078-A9 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2004-02-19 — — WO disclosed
US-20030212111-A1 Heterocyclic modulators of nuclear receptors AKARNA THERAPEUTICS, LTD. (GB) 2003-11-13 — — US disclosed
CN-1441779-A Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2003-09-10 — — CN disclosed
WO-2003060078-A2 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 — — 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 (6 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-12091407-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN VCAM1 3991/4885KAT2B 2862/4885MAPT 2385/4885
US-20230312548-A1 SUBSTITUTE FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLS, HMOX2, REN VCAM1 4359/4885KAT2B 3072/4885MAPT 2557/4885
US-11649230-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN VCAM1 3991/4885KAT2B 2862/4885MAPT 2385/4885
US-20040180942-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 VCAM1 4548/4885KAT2B 1402/4885MAPT 4111/4885
US-20240018129-A1 COMPOUNDS AS PU. 1 INHIBITORS FLI1, MCL1, SP1 VCAM1 217/4885KAT2B 568/4885MAPT 4351/4885
US-20030212111-A1 Heterocyclic modulators of nuclear receptors NR1H2, NR1H3, NR1H4 VCAM1 4548/4885KAT2B 1402/4885MAPT 4111/4885

“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.