SCHEMBL4824913

SCHEMBL4824913

COc1cc(F)cc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
HTT P42858 3/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSPB1 P04792 2/20 0.43
TSHR P16473 1/20 0.42
ALOX5 P09917 1/20 0.42
NFE2L2 Q16236 1/20 0.41
CYP19A1 P11511 1/20 0.40
APP P05067 1/20 0.40
KDM4E B2RXH2 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 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
SCHEMBL309863 0.86 LMNA (0.61) LMNAPTGS1PTGS2HTTMEN1
SCHEMBL8008016 0.86 PTGS1 (0.59) LMNAPTGS1PTGS2HTTMEN1
SCHEMBL28330166 0.80 MEN1 (0.41) LMNAHTTMEN1MAPTKMT2A
SCHEMBL15155997 0.80 S1PR4 (0.41) LMNAHTTMEN1MAPTKMT2A
SCHEMBL1172437 0.79 CYP19A1 (0.55) LMNAHTTMEN1MAPTMAPK1
SCHEMBL7203812 0.79 CYP19A1 (0.62) LMNAHTTMEN1MAPTMAPK1
SCHEMBL10165092 0.78 TSHR (0.65) LMNAPTGS1PTGS2HTTMEN1
SCHEMBL15834453 0.78 LMNA (0.46) LMNAPTGS1PTGS2HTTMEN1
SCHEMBL19950442 0.78 HSPB1 (0.41) LMNAHTTMEN1MAPTMAPK1
SCHEMBL29739327 0.78 HSPB1 (0.41) LMNAHTTMEN1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136558-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 BIOMEA FUSION, INC. 2025-05-01 US disclosed
US-20240294495-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND METHODS OF USE THEREOF MONTE ROSA THERAPEUTICS AG (CH) 2024-09-05 US disclosed
EP-4392409-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 Biomea Fusion, Inc. (US) 2024-07-03 EP disclosed
EP-4277901-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics, Inc. (US) 2023-11-22 EP disclosed
EP-4278014-A1 TREATMENT OF MYC-DRIVEN CANCERS WITH GSPT1 DEGRADERS Monte Rosa Therapeutics, Inc. (US) 2023-11-22 EP disclosed
WO-2023069731-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND METHODS OF USE THEREOF MONTE ROSA THERAPEUTICS, INC. (US) 2023-04-27 WO disclosed
WO-2023027966-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 BIOMEA FUSION, INC. (US) 2023-03-02 WO disclosed
WO-2022152821-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2022-07-21 WO disclosed
WO-2022152822-A1 TREATMENT OF MYC-DRIVEN CANCERS WITH GSPT1 DEGRADERS MONTE ROSA THERAPEUTICS AG (CH) 2022-07-21 WO disclosed
US-10035770-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2018-07-31 US disclosed
CN-101445461-B Method for preparing 3-fluoride-5-alkoxyl aniline BINHAI KANGJIE CHEMICAL CO LTD 2012-07-04 CN disclosed
CN-101445461-A Method for preparing 3-fluoride-5-alkoxyl aniline BINHAI KANGJIE CHEMICAL CO LTD (CN) 2009-06-03 CN disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 US disclosed
WO-2004064730-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-08-05 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 (5 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-20250136558-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 FLT3, MCL1, JAK2 LMNA 3708/4885PTGS1 2384/4885PTGS2 2493/4885
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 LMNA 3004/4885PTGS1 433/4885PTGS2 180/4885
US-20240294495-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND METHODS OF USE THEREOF CRBN, GSPT1, GSPT2 LMNA 2608/4885PTGS1 1850/4885PTGS2 3360/4885
US-10035770-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 LMNA 187/4885PTGS1 2029/4885PTGS2 2225/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 LMNA 3004/4885PTGS1 433/4885PTGS2 180/4885

“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.