SCHEMBL5508098

SCHEMBL5508098

CC(=O)Nc1cccc([N+](=O)[O-])c1N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
POLB P06746 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
HTT P42858 2/20 0.48
PDE7A Q13946 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.45
CXCR1 P25024 1/20 0.44
CXCR2 P25025 1/20 0.44

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
SCHEMBL29740651 0.83 KMT2A (0.69) MAPTPKMKMT2AMEN1NPSR1
SCHEMBL733777 0.83 KMT2A (0.69) MAPTPKMKMT2AMEN1NPSR1
SCHEMBL6789579 0.82 POLB (0.68) MAPTLMNAPKMPOLBKMT2A
SCHEMBL1247252 0.82 PKM (0.56) MAPTLMNAPKMPOLBKMT2A
SCHEMBL11147829 0.82 TDP1 (0.60) MAPTLMNAPKMPOLBKMT2A
Fluoride SCHEMBL28083677 0.81 KMT2A (0.67) MAPTPKMKMT2AMEN1NPSR1
SCHEMBL3120978 0.81 PKM (0.55) MAPTLMNAPKMPOLBKMT2A
SCHEMBL3117649 0.81 PKM (0.55) MAPTLMNAPKMPOLBKMT2A
SCHEMBL5647147 0.81 PKM (0.55) MAPTLMNAPKMPOLBKMT2A
SCHEMBL8568781 0.80 ALDH1A1 (0.57) MAPTLMNAKDM4EKMT2AMEN1

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 9 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
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS 2002-10-31 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 (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 MAPT 902/4885LMNA 3269/4885KDM4E 2501/4885
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 MAPT 902/4885LMNA 3269/4885KDM4E 2501/4885
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 MAPT 902/4885LMNA 3269/4885KDM4E 2501/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 MAPT 2542/4885LMNA 3316/4885KDM4E 2084/4885

“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.