SCHEMBL3473388

SCHEMBL3473388

O=C(NCc1cccc(Cl)c1)c1cc(Cl)c2cn(CCc3ccccn3)nc2c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.71
CXCR3 P49682 1/20 0.47
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
F2 P00734 1/20 0.43
HPGD P15428 1/20 0.42
DRD2 P14416 1/20 0.42
KLKB1 P03952 1/20 0.42
MEN1 O00255 1/20 0.41
HCRTR1 O43613 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGER4 P35408 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL3471157 0.87 THRB (0.70) THRBCXCR3NPC1KDM4ESMN1; SMN2
SCHEMBL3472707 0.83 THRB (1.00) THRBNPC1SMN1; SMN2DRD2KLKB1
SCHEMBL3471171 0.78 THRB (0.70) THRBNPC1SMN1; SMN2DRD2MEN1
SCHEMBL3474170 0.77 THRB (0.78) THRBNPC1SMN1; SMN2HPGDDRD2
SCHEMBL3472086 0.75 THRB (0.75) THRBNPC1DRD2KLKB1MEN1
SCHEMBL3471611 0.74 THRB (0.70) THRBNPC1DRD2ALDH1A1
SCHEMBL3472393 0.73 THRB (0.72) THRBNPC1DRD2ALDH1A1ROCK2
SCHEMBL3471703 0.72 THRB (1.00) THRBNPC1KLKB1ALDH1A1ROCK2
SCHEMBL3471139 0.72 THRB (0.59) THRBCXCR3NPC1KDM4ESMN1; SMN2
SCHEMBL3928231 0.71 THRB (0.68) THRBNPC1DRD2KLKB1ALDH1A1

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 THRB 548/4885CXCR3 2955/4885NPC1 2941/4885

“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.