Sugi Predict

Sugi Predict / Compounds / SCHEMBL4124874

SCHEMBL4124874

SCHEMBL4124874

O=[N+]([O-])c1cc(CCl)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ VCAM1 P19320 1/20 0.53
▸ TSHR P16473 3/20 0.49
▸ LMNA P02545 5/20 0.46
▸ RECQL P46063 1/20 0.46
▸ ATM Q13315 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ MITF O75030 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ABL1 P00519 2/20 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
SCHEMBL11439528 0.85 TDP1 (0.58) ALDH1A1HIF1AVCAM1TSHRLMNA
SCHEMBL14880650 0.85 ALDH1A1 (0.60) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL3120356 0.83 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL29990481 0.81 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL14899811 0.81 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL31023151 0.81 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL960995 0.81 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL7615803 0.81 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL29494110 0.81 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL17073421 0.81 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108698982-B Fluorine atom-containing compound and use thereof 日产化学工业株式会社 2021-07-16 — — CN disclosed
EP-3404017-B1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2020-05-13 — — EP disclosed
US-10336686-B2 Fluorine atom-containing compound and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-07-02 — — US disclosed
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-31 — — US disclosed
EP-3404017-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2018-11-21 — — EP disclosed
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 — — EP disclosed
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 — — EP disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
EP-2137179-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2009-12-30 — — EP disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO disclosed
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO disclosed
US-6548449-B1 Herbicides BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 — — US disclosed
CN-1289325-A Substituted phenyluracils with herbicidal effect BAYER AG (DE) 2001-03-28 — — CN disclosed
EP-1051404-A1 SUBSTITUTED PHENYLURACILS WITH HERBICIDAL EFFECT BAYER AG (DE) 2000-11-15 — — EP disclosed
WO-1999038851-A1 SUBSTITUTED PHENYLURACILS WITH HERBICIDAL EFFECT BAYER AKTIENGESELLSCHAFT (DE) 1999-08-05 — — 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 (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-10336686-B2 Fluorine atom-containing compound and use thereof ARF1, ARF5, ARFGAP1 ALDH1A1 982/4885HIF1A 1538/4885VCAM1 3977/4885
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA ALDH1A1 2437/4885HIF1A 3249/4885VCAM1 2913/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 ALDH1A1 982/4885HIF1A 1538/4885VCAM1 3977/4885

“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.