Sugi Predict

Sugi Predict / Compounds / SCHEMBL9913587

SCHEMBL9913587

SCHEMBL9913587

O=[N+]([O-])c1cc(CC(F)(F)F)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ VCAM1 P19320 1/20 0.50
▸ LMNA P02545 6/20 0.44
▸ RECQL P46063 1/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ATM Q13315 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PTGES O14684 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ MITF O75030 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ABL1 P00519 3/20 0.39

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
SCHEMBL31023123 1.00 ALDH1A1 (0.53) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL27903847 0.86 TDP1 (0.55) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL28179842 0.86 TSHR (0.46) ALDH1A1HIF1AATMTDP1
SCHEMBL2339800 0.82 ALDH1A1 (0.49) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL14880650 0.82 ALDH1A1 (0.60) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL8790573 0.81 TDP1 (0.58) ALDH1A1LMNARECQLMEN1KMT2A
SCHEMBL27565845 0.81 PARP1 (0.45) ALDH1A1HIF1ALMNAATMTDP1
SCHEMBL27555022 0.81 ALDH1A1 (0.43) ALDH1A1HIF1ALMNAMEN1KMT2A
SCHEMBL20856347 0.81 ALDH1A1 (0.48) ALDH1A1HIF1AVCAM1TDP1
SCHEMBL3120356 0.80 ALDH1A1 (0.58) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024130095-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-06-20 — — WO disclosed
EP-2646444-B1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES EPIZYME INC (US) 2016-03-16 — — EP disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 — — US disclosed
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 — — US disclosed
CN-104926691-A Preparation method of 2-nitro-4-trifluoromethylbenzonitrile JIANGSU AGROCHEM LAB CO LTD 2015-09-23 — — CN disclosed
US-9096634-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2015-08-04 — — US disclosed
US-9096634-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2015-08-04 — — US disclosed
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds Epizyme, Inc. (US) 2014-02-20 — — US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 — — US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 — — US disclosed
CN-1609105-A 1-hydroxymethyl imidazo [1, 2-alpha ] quinoxaline compound and application thereof INST OF TOXIC PHARMACOLOGY ACA (CN) 2005-04-27 — — CN disclosed
CN-1374952-A Benzimidazolone derivatives and their use as phosphodiesterase inhibibors FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-16 — — CN disclosed
CN-1359372-A Chemical process AVENTIS CROPSCIENCE SA (FR) 2002-07-17 — — CN disclosed
CN-1076348-C 3-ketoindole derivates taken as potassium channels regulator BRISTOL MYERS SQUIBB CO LTD (US) 2001-12-19 — — CN disclosed
CN-1268949-A Fused thiophene compounds and medical use thereof YOSHITOMI PHARMACEUTICAL (JP) 2000-10-04 — — CN disclosed
CN-1045964-C Heterocyclic compounds and their preparation and use NOVO NORDISK AS (DK) 1999-10-27 — — CN disclosed
CN-1041930-C [1,2,4]triazolo[4,3-a] quinoxaline derivatives, their preparation and use NOVO NORDISK AS (DK) 1999-02-03 — — CN disclosed
CN-1145071-A Heterocyclic compounds, their preparation and use NOVO NORDISK AS (DK) 1997-03-12 — — CN disclosed
CN-1144800-A 3-ketoindole derivates taken as potassium channels regulator BRISTOL MYERS SQUIBB CO (US) 1997-03-12 — — CN disclosed
CN-1122601-A [1, 2, 4] triazolo [4, 3-a ] quinoxaline derivatives, their preparation and use NOVO NORDISK AS (DK) 1996-05-15 — — CN 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-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885HIF1A 1617/4885VCAM1 3810/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885HIF1A 1617/4885VCAM1 3810/4885

“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.