Sugi Predict

Sugi Predict / Compounds / SCHEMBL4100002

SCHEMBL4100002

SCHEMBL4100002

O=Cc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH5A1 P51649 1/20 0.53
▸ ABAT P80404 1/20 0.53
▸ VCAM1 P19320 1/20 0.53
▸ SIRT6 Q8N6T7 1/20 0.48
▸ AR P10275 8/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ PGR P06401 2/20 0.47
▸ CES2 O00748 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ ALOX15 P16050 1/20 0.47

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
SCHEMBL3859766 0.86 ALDH5A1 (0.57) ALDH5A1ABATVCAM1ARCYP3A4
SCHEMBL16957012 0.85 AR (0.49) ALDH5A1ABATSIRT6ARCYP3A4
SCHEMBL16951259 0.85 SIRT6 (0.50) SIRT6ARCYP3A4ALDH1A1LMNA
SCHEMBL1615168 0.78 TOP2A (0.52) ARCYP3A4ALDH1A1LMNACYP1A2
SCHEMBL16610452 0.78 XDH (0.47) ALDH5A1ABATVCAM1SIRT6AR
SCHEMBL1466944 0.77 ALDH5A1 (0.69) ALDH5A1ABATVCAM1CYP3A4ALDH1A1
SCHEMBL31484716 0.77 ALDH5A1 (0.69) ALDH5A1ABATVCAM1CYP3A4ALDH1A1
SCHEMBL18549031 0.77 AR (0.58) ARCYP3A4ALDH1A1LMNACYP1A2
SCHEMBL1515898 0.77 XDH (0.63) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL29190101 0.77 ALDH1A1 (0.49) ALDH5A1ABATVCAM1ARCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115746061-A Polypyridine ruthenium complex capable of releasing NO by illumination, and preparation method and application thereof 华南农业大学 2023-03-07 — — CN claimed
US-20240317758-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-09-26 — — US disclosed
CN-115746061-B Polypyridine ruthenium complex capable of releasing NO through illumination, and preparation method and application thereof 华南农业大学 2024-06-11 — — CN disclosed
CN-117597346-A NEK7 inhibitors 哈利亚治疗公司 2024-02-23 — — CN disclosed
EP-4320127-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-02-14 — — EP disclosed
CN-115746061-A Polypyridine ruthenium complex capable of releasing NO by illumination, and preparation method and application thereof 华南农业大学 2023-03-07 — — CN disclosed
WO-2022216680-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-13 — — WO disclosed
CN-112341396-B Novel monoacylglycerol esterase inhibitor and preparation method and application thereof 四川大学华西医院 2022-07-26 — — CN disclosed
CN-112341396-A Novel monoacylglycerol esterase inhibitor and preparation method and application thereof 四川大学华西医院 2021-02-09 — — CN disclosed
CN-101743224-A 7-substituted indole mcl-1 inhibitors ABBOTT LAB 2010-06-16 — — CN disclosed
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 — — US disclosed
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 — — US disclosed
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 — — US disclosed
CN-101331143-A Hypophosphorous acid derivatives and their therapeutic use CENTRE NAT RECH SCIENT (FR) 2008-12-24 — — CN disclosed
EP-1937699-A2 HYPOPHOSPHOROUS ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-07-02 — — EP disclosed
WO-2007052169-A2 HYPOPHOSPHOROUS ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-05-10 — — WO disclosed
WO-2007052169-A2 HYPOPHOSPHOROUS ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-05-10 — — WO disclosed
US-4767748-A Substituted oligosaccharide antibodies SCHERING CORPORATION (US) 1988-07-30 — — US disclosed
WO-1987002366-A2 NOVEL DERIVATIVES OF THE OLIGOSACCHARIDE ANTIBIOTIC COMPLEX 13-384, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1987-04-23 — — 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 (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-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications P4HA1, CYP2R1, EGLN3 ALDH5A1 1283/4885ABAT 2711/4885VCAM1 3127/4885
US-20240317758-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 ALDH5A1 4448/4885ABAT 3985/4885VCAM1 3526/4885

“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.

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