Sugi Predict

Sugi Predict / Compounds / SCHEMBL4647893

SCHEMBL4647893

SCHEMBL4647893

C=Cc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ ERN1 O75460 1/20 0.47
▸ LMNA P02545 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ PLG P00747 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TXNRD1 Q16881 1/20 0.41
▸ TXNRD3 Q86VQ6 1/20 0.41
▸ TXNRD2 Q9NNW7 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ PTPRC P08575 1/20 0.40
▸ S100A4 P26447 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ AMY1A P0DUB6 1/20 0.40
▸ HSPB1 P04792 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
SCHEMBL30648783 1.00 ALDH1A1 (0.56) ALDH1A1HIF1AERN1LMNATSHR
SCHEMBL376864 0.85 ALDH1A1 (0.52) ALDH1A1HIF1AERN1LMNATSHR
SCHEMBL16951459 0.85 ALDH1A1 (0.56) ALDH1A1HIF1AERN1LMNATSHR
Ethylene SCHEMBL7400535 0.84 ERN1 (0.59) ALDH1A1HIF1AERN1LMNATSHR
SCHEMBL349039 0.83 ERN1 (0.62) ALDH1A1HIF1AERN1LMNATSHR
SCHEMBL8098203 0.82 ALDH1A1 (0.53) ALDH1A1HIF1AERN1LMNATSHR
SCHEMBL28750322 0.81 ALDH1A1 (0.56) ALDH1A1HIF1AERN1LMNATSHR
SCHEMBL8464338 0.81 PTPRC (0.52) ALDH1A1ERN1LMNATSHRMAPT
SCHEMBL13689920 0.79 HSD17B10 (0.62) ALDH1A1ERN1LMNATSHRMAPT
SCHEMBL29051806 0.79 TDP1 (0.55) ALDH1A1ERN1LMNATSHRMAPT

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
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 — — EP disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 — — US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 — — US disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 — — WO disclosed
WO-2022268229-A1 PROTEIN INHIBITOR OR DEGRADING AGENT, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PHARMACEUTICAL USE 和径医药科技（上海）有限公司 2022-12-29 — — WO disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
CN-1863789-B Substituted isoquinolinones PORTOLA PHARM INC 2010-06-09 — — CN disclosed
EP-1667989-A4 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARM INC (US) 2008-08-20 — — EP disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 — — US disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 — — US disclosed
EP-1667989-A1 SUBSTITUTED ISOQUINOLINONES Portola Pharmaceuticals, Inc. (US) 2006-06-14 — — EP disclosed
US-20050113399-A1 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2005-05-26 — — US disclosed
WO-2005035520-A1 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-21 — — WO disclosed
EP-0554904-B1 Organosilicon polymers, and dyes, exhibiting nonlinear optical response ALLIANT TECHSYSTEMS INC (US) 1998-06-10 — — EP disclosed
US-5714304-A AN ORGANOSILICON CROSSLINKED POLYMER IS THE REACTION PRODUCT OF ATLEAST ONE CYCLIC POLYSILOXANE HAVING ATLEAST TWO HYDROSILATION REACTIVE GROUPS, AN ORGANIC DYE WITH ELECTRON ACCEPTOR AND DONOR GROUPS WITH DOUBLE BOND, AND A POLYENE HERCULES INCORPORATED (US) 1998-02-03 — — US disclosed
US-5663308-A DYES CONTAINING ELECTRON DONOR/ACEPTOR GROUPS LINKED BY DELOCALIZED PI ELECTRON SYSTEM AND TWO OR MORE PENDANT GROUPS HERCULES INCORPORATED (US) 1997-09-02 — — US disclosed
US-5605726-A FILMS, SEMICONDUCTORS HERECULES INCORPORATED (US) 1997-02-25 — — US disclosed
US-5298588-A Organosilicon polymers, and dyes, exhibiting nonlinear optical response HERCULES INCORPORATED (US) 1994-03-29 — — US disclosed
US-5254655-A Made by hydrosilation of cyclic polysiloxanes and carbon-carbon bond-containing dye HERCULES INCORPORATED (US) 1993-10-19 — — US disclosed
EP-0554904-A2 Organosilicon polymers, and dyes, exhibiting nonlinear optical response HERCULES INCORPORATED (US) 1993-08-11 — — EP 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-20050113399-A1 Substituted isoquinolinones PFKP, MPL, TBXA2R ALDH1A1 1929/4885HIF1A 2010/4885ERN1 3040/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 ALDH1A1 3576/4885HIF1A 1186/4885ERN1 683/4885

“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.