SCHEMBL3474523

SCHEMBL3474523

O=C(NCc1cccc(Cl)c1)c1ccc2cn(CC(C(=O)N3CCC(O)CC3)c3ccccc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.57
LMNA P02545 3/20 0.46
CYP51A1 Q16850 2/20 0.42
PYGL P06737 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPK8 P45983 1/20 0.40
CNR1 P21554 1/20 0.40
WDR5 P61964 1/20 0.40

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
SCHEMBL3472073 0.93 THRB (0.55) THRBLMNASMN1; SMN2CNR1
SCHEMBL3931322 0.91 THRB (0.53) THRBLMNASMN1; SMN2CNR1
SCHEMBL3472341 0.90 THRB (0.58) THRBLMNACNR1
SCHEMBL3473914 0.90 THRB (0.60) THRBLMNACNR1
SCHEMBL3471621 0.89 THRB (0.52) THRBLMNASMN1; SMN2
SCHEMBL3474527 0.87 THRB (0.64) THRBLMNA
SCHEMBL3473079 0.83 THRB (0.61) THRBLMNASMN1; SMN2
SCHEMBL3471625 0.83 THRB (0.51) THRBLMNASMN1; SMN2CNR1
SCHEMBL3473277 0.82 THRB (0.64) THRBLMNA
SCHEMBL3472242 0.81 THRB (0.58) THRBLMNACNR1

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 548/4885LMNA 1715/4885CYP51A1 159/4885

“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.