SCHEMBL3473089

SCHEMBL3473089

CC1(C)COC(c2ccc(C(=O)NCc3cccc(Cl)c3)cc2[N+](=O)[O-])OC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.46
GSK3B P49841 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ROCK2 O75116 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL31546669 0.77 KMT2A (0.62) LMNAKMT2AMEN1MAPTMAPK1
SCHEMBL3474011 0.76 HCAR3 (0.50) LMNAKMT2AMEN1TSHR
SCHEMBL3470896 0.76 NPC1 (0.57) LMNAKMT2AMEN1MAPTHPGD
SCHEMBL3472430 0.75 KMT2A (0.60) LMNAKMT2AMEN1MAPTMAPK1
SCHEMBL3472249 0.74 LMNA (0.59) LMNAKMT2AMEN1MAPTMAPK1
SCHEMBL3472678 0.71 LMNA (0.55) LMNAKMT2AMEN1MAPTMAPK1
SCHEMBL3473431 0.70 LMNA (0.54) LMNAKMT2AMEN1MAPTMAPK1
SCHEMBL5332860 0.70 NPC1 (0.72) KMT2AMEN1MAPK1HPGDCYP1A2
SCHEMBL1455766 0.68 SMN1; SMN2 (0.77) LMNAKMT2AMEN1MAPTMAPK1
SCHEMBL17786303 0.68 NPC1 (0.59) KMT2AMEN1MAPK1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
EP-2044031-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS Bayer HealthCare AG (DE) 2009-04-08 EP disclosed
WO-2008006479-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2008-01-17 WO disclosed
WO-2008006479-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2008-01-17 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 (1 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-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS F2, TFPI, PLAT LMNA 1715/4885KMT2A 827/4885MEN1 2246/4885

“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.