SCHEMBL505372

SCHEMBL505372

CC(=O)Nc1c(C(C)=O)cccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.47
DHODH Q02127 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
CTSD P07339 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL5110430 0.89 TSHR (0.59) KCNMA1KMT2AMEN1POLBLMNA
SCHEMBL9185883 0.88 KMT2A (0.56) KCNMA1KMT2AMEN1POLBLMNA
SCHEMBL544031 0.86 KMT2A (0.53) KCNMA1KMT2AMEN1POLBLMNA
SCHEMBL30388557 0.82 KCNMA1 (0.63) KCNMA1KMT2AMEN1POLBLMNA
SCHEMBL5144247 0.82 KCNMA1 (0.63) KCNMA1KMT2AMEN1POLBLMNA
SCHEMBL249599 0.82 KCNMA1 (0.56) KCNMA1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL27507150 0.82 ALDH1A1 (0.61) KCNMA1KMT2AMEN1POLBLMNA
SCHEMBL9872830 0.81 MEN1 (0.50) KCNMA1KMT2AMEN1POLBTSHR
SCHEMBL3412286 0.81 MEN1 (0.50) KCNMA1KMT2AMEN1POLBTSHR
SCHEMBL30625900 0.81 KMT2A (0.50) KCNMA1KMT2AMEN1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
CN-104030987-A DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA 2014-09-10 CN disclosed
CN-102574786-A Dihydroorotate dehydrogenase inhibitors MERCK SERONO SA 2012-07-11 CN disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO 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

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-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD KCNMA1 2866/4885KMT2A 836/4885MEN1 1133/4885
US-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 KCNMA1 3921/4885KMT2A 4636/4885MEN1 3716/4885
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 KCNMA1 3921/4885KMT2A 4636/4885MEN1 3716/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 KCNMA1 4163/4885KMT2A 3037/4885MEN1 766/4885

“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.