SCHEMBL3763530

SCHEMBL3763530

NC(=O)c1cc(N2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
HPGD P15428 2/20 0.61
MAPT P10636 13/20 0.60
ALDH1A1 P00352 10/20 0.60
CYP1A2 P05177 3/20 0.60
CYP2C19 P33261 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
CYP2C9 P11712 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
SIRT6 Q8N6T7 1/20 0.54
CYP3A4 P08684 2/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
MAPK1 P28482 2/20 0.53

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
SCHEMBL27249081 0.99 LMNA (0.64) LMNAHPGDMAPTALDH1A1CYP1A2
SCHEMBL6573537 0.93 MAPT (0.61) LMNAHPGDMAPTALDH1A1CYP1A2
SCHEMBL40110 0.87 HPGD (0.62) LMNAHPGDMAPTALDH1A1CYP1A2
SCHEMBL13312473 0.86 SIRT6 (0.73) MAPTALDH1A1L3MBTL1SIRT6CYP3A4
SCHEMBL144859 0.86 MAPT (0.76) LMNAMAPTALDH1A1CYP2C19CYP2C9
SCHEMBL25493925 0.86 HPGD (0.61) LMNAHPGDMAPTALDH1A1CYP1A2
SCHEMBL11736626 0.86 MAPT (0.76) LMNAHPGDMAPTALDH1A1CYP1A2
SCHEMBL23293980 0.85 SIRT6 (0.54) LMNAMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL27957504 0.85 MAPT (0.58) LMNAHPGDMAPTALDH1A1CYP1A2
SCHEMBL340455 0.84 MAPT (0.78) LMNAHPGDMAPTALDH1A1CYP1A2

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
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed
US-20040167121-A1 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
WO-2004037814-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-06 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 (2 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-20040167121-A1 Indazolinone compositions useful as kinase inhibitors LCK, CDK2, CILK1 LMNA 3678/4885HPGD 3135/4885MAPT 810/4885
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 LMNA 3744/4885HPGD 3186/4885MAPT 873/4885

“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.