SCHEMBL4044524

SCHEMBL4044524

CC(=O)Oc1cc([N+](=O)[O-])cc2c1OC(C)(C)C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RECQL P46063 1/20 0.37
AKR1B1 P15121 1/20 0.36
POLB P06746 3/20 0.36
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CCR6 P51684 1/20 0.35
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL23667966 0.81 LMNA (0.46) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4049990 0.80 LMNA (0.45) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL4045697 0.80 LMNA (0.45) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL6734438 0.80 LMNA (0.45) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL4752981 0.80 LMNA (0.45) LMNAKMT2APOLB
SCHEMBL4753368 0.80 ALDH1A1 (0.45) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4751039 0.79 ALDH1A1 (0.45) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4751059 0.77 MEN1 (0.41) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL21588776 0.77 KDM4E (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1RECQL
SCHEMBL29814593 0.77 KDM4E (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576224-B2 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives FMC CORPORATION (US) 2009-08-18 US disclosed
US-7576224-B2 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives FMC CORPORATION (US) 2009-08-18 US disclosed
US-7576224-B2 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives FMC CORPORATION (US) 2009-08-18 US disclosed
EP-1620421-B1 INSECTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED DIHYDROBENZOFURAN AND DIHYDROBENZOPYRAN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-06-24 EP disclosed
EP-1620421-A4 INSECTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED DIHYDROBENZOFURAN AND DIHYDROBENZOPYRAN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-10-31 EP disclosed
US-20060094776-A1 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives FMC CORPORATION 2006-05-04 US disclosed
EP-1620421-A2 INSECTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED DIHYDROBENZOFURAN AND DIHYDROBENZOPYRAN DERIVATIVES FMC CORPORATION (US) 2006-02-01 EP disclosed
US-6987194-B2 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives FMC CORPORATION (US) 2006-01-17 US disclosed
WO-2004098283-A2 INSECTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED DIHYDROBENZOFURAN AND DIHYDROBENZOPYRAN DERIVATIVES FMC CORPORATION (US) 2004-11-18 WO disclosed
US-20040224994-A1 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives FMC CORPORATION 2004-11-11 US disclosed
US-20040186170-A1 Benzofuran derivatives, pharmaceutical composition containing the same, and a process for the preparation of the active ingredient EGIS GYOGYSZERGYAR (HU) 2004-09-23 US disclosed
EP-1077973-A2 BENZOFURAN DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT EGIS GYOGYSZERGYAR RT. (HU) 2001-02-28 EP disclosed
WO-1999058527-A2 BENZOFURAN DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT EGIS Gyógyszergyár Rt. (HU) 1999-11-18 WO disclosed
US-4560682-A INSECTICIDES, MITICIDES MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1985-12-24 US 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-20040224994-A1 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives DDT, DHCR24, RPS24 LMNA 4436/4885ALDH1A1 370/4885SMN1; SMN2 3926/4885
US-20040186170-A1 Benzofuran derivatives, pharmaceutical composition containing the same, and a process for the preparation of the active ingredient CYP2F1, CYP3A4, CYP2S1 LMNA 2499/4885ALDH1A1 81/4885SMN1; SMN2 3211/4885
US-20060094776-A1 Insecticidal (dihalopropenyl) phenylalkyl substituted dihydrobenzofuran and dihydrobenzopyran derivatives DDT, DHCR24, L3MBTL1 LMNA 4255/4885ALDH1A1 480/4885SMN1; SMN2 3889/4885

“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.