SCHEMBL3471399

SCHEMBL3471399

O=C(NCc1cccc(Cl)c1)c1ccc2cn(CC(c3ccccc3F)N3CCCC3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.56
LMNA P02545 2/20 0.46
CNR1 P21554 3/20 0.43
TP53 P04637 2/20 0.41
CNR2 P34972 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 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
SCHEMBL3470964 0.92 THRB (0.57) THRBLMNACNR1TP53DRD2
SCHEMBL3472160 0.88 THRB (0.58) THRBLMNACNR1TP53SMN1; SMN2
SCHEMBL3472242 0.88 THRB (0.58) THRBLMNACNR1TP53DRD2
SCHEMBL3471142 0.84 THRB (0.56) THRBLMNACNR1
SCHEMBL3473084 0.83 THRB (0.55) THRBLMNATP53
SCHEMBL8211414 0.83 THRB (0.56) THRBLMNATP53CNR2
SCHEMBL3471557 0.82 THRB (0.54) THRBLMNATP53
SCHEMBL3471601 0.82 THRB (0.59) THRBLMNASMN1; SMN2DRD2
SCHEMBL3472582 0.82 THRB (0.60) THRBLMNADRD2
SCHEMBL3472728 0.81 THRB (0.58) THRBLMNACNR1TP53SMN1; SMN2

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 4 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
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 1715/4885CNR1 3131/4885

“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.