Sugi Predict

Sugi Predict / Compounds / SCHEMBL504966

SCHEMBL504966

SCHEMBL504966

O=C1Nc2c(cc(F)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.59
▸ CASP3 P42574 2/20 0.41
▸ CAPN9 O14815 1/20 0.41
▸ CES1 P23141 4/20 0.39
▸ DNMT1 P26358 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ ALDH2 P05091 1/20 0.37
▸ ALDH3A1 P30838 1/20 0.37
▸ XDH P47989 1/20 0.36
▸ TYMS P04818 1/20 0.35
▸ PGR P06401 1/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL9016208 0.81 CAPN9 (0.54) TGM2CASP3CAPN9CES1DNMT1
SCHEMBL6318396 0.80 HSP90AA1 (0.38) TGM2TDP1ATMALDH1A1XDH
SCHEMBL6318400 0.80 HSP90AA1 (0.38) TGM2TDP1ATMALDH1A1XDH
SCHEMBL505202 0.80 S100A4 (0.49) TGM2CASP3CAPN9CES1DNMT1
SCHEMBL505299 0.80 CES1 (0.59) TGM2CASP3CAPN9CES1DNMT1
SCHEMBL505131 0.80 ALDH1A1 (0.56) TGM2CASP3CAPN9CES1DNMT1
SCHEMBL505285 0.76 ALDH1A1 (0.46) CASP3CAPN9CES1ALDH1A1ALDH2
SCHEMBL4586483 0.74 TGM2 (1.00) TGM2CASP3CES1DNMT1ALDH1A1
SCHEMBL30288310 0.74 TGM2 (1.00) TGM2CASP3CES1DNMT1ALDH1A1
SCHEMBL6200228 0.74 PARP10 (0.41) TGM2TDP1ATMALDH1A1TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922430-B 2-substituted benzimidazole-4-formamide compound and preparation method and application thereof 中国科学院上海药物研究所 2020-09-04 — — CN disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 — — US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 — — US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 — — US disclosed
CN-104030987-A DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA 2014-09-10 — — CN disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 — — EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 — — US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 — — US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 — — US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 — — WO disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 — — 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-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD TGM2 979/4885CASP3 3028/4885CAPN9 4814/4885

“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.