SCHEMBL5510368

SCHEMBL5510368

O=C(c1ccc[nH]1)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 1/20 0.49
ALDH1A1 P00352 7/20 0.44
HIF1A Q16665 1/20 0.44
MAPT P10636 10/20 0.42
GAA P10253 1/20 0.42
RORC P51449 1/20 0.41
TNFSF11 O14788 1/20 0.41
TNF P01375 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 4/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5532280 0.83 CYP1A2 (0.62) CYP1A2CYP2D6ALDH1A1MAPTGAA
SCHEMBL7079685 0.81 CYP1A2 (0.58) CYP1A2CYP2D6ALDH1A1MAPTGAA
SCHEMBL11524668 0.80 MAPT (0.59) ALDH1A1HIF1AMAPTGAARORC
SCHEMBL6326821 0.77 SRD5A2 (0.56) CYP1A2CYP2D6ALDH1A1MAPTGAA
SCHEMBL10513884 0.75 CES2 (0.58) CYP1A2CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL27878919 0.74 LMNA (0.53) ALDH1A1HIF1AMAPTGAARORC
Guanidine SCHEMBL28283534 0.74 LMNA (0.53) CYP1A2ALDH1A1MAPTGAAMEN1
SCHEMBL1654660 0.74 ALDH1A1 (0.59) ALDH1A1HIF1AMAPTGAAMEN1
SCHEMBL195145 0.74 ALDH1A1 (0.59) ALDH1A1HIF1AMAPTGAAMEN1
SCHEMBL7520685 0.73 TSHR (0.41) CYP1A2CYP2D6ALDH1A1HIF1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2006-05-25 US disclosed
US-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-6919461-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2005-07-19 US disclosed
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation REICH SIEGFRIED HEINZ (US) 2003-07-24 US disclosed
US-6555539-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS 2003-04-29 US disclosed
CN-1394205-A Indazole compounds, pharmaceutical compositions, and their use for mediating or inhibiting cell proliferation AGOURON PHARMA (US) 2003-01-29 CN disclosed
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS 2002-10-31 US disclosed
EP-1250326-A2 INDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND THEIR USE FOR MEDIATING OR INHIBITING CELL PROLIFERATION AGOURON PHARMACEUTICALS, INC. (US) 2002-10-23 EP disclosed
WO-2001053268-A2 INDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND THEIR USE FOR MEDIATING OR INHIBITING CELL PROLIFERATION AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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 (4 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-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 CYP1A2 1243/4885CYP2D6 2745/4885ALDH1A1 1759/4885
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 CYP1A2 1243/4885CYP2D6 2745/4885ALDH1A1 1759/4885
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 CYP1A2 1243/4885CYP2D6 2745/4885ALDH1A1 1759/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 CYP1A2 123/4885CYP2D6 319/4885ALDH1A1 1201/4885

“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.