SCHEMBL3470896

SCHEMBL3470896

COC(=O)c1ccc(C2OCC(C)(C)CO2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
VCAM1 P19320 1/20 0.49
HPGD P15428 3/20 0.48
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 5/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
MAPT P10636 1/20 0.42
ESRRA P11474 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
SCHEMBL14691018 0.88 VCAM1 (0.53) SMN1; SMN2VCAM1HPGDLMNAKMT2A
SCHEMBL3474011 0.86 HCAR3 (0.50) LMNAKMT2AMEN1
SCHEMBL31056786 0.80 VCAM1 (0.50) NPC1RAB9ASMN1; SMN2VCAM1HPGD
SCHEMBL11965650 0.78 HPGD (0.58) SMN1; SMN2VCAM1HPGDLMNAKMT2A
SCHEMBL12488269 0.76 HPGD (0.59) SMN1; SMN2VCAM1HPGDLMNAKMT2A
SCHEMBL3473089 0.76 LMNA (0.52) NPC1SMN1; SMN2HPGDLMNAKMT2A
SCHEMBL3901403 0.75 HPGD (0.65) SMN1; SMN2VCAM1HPGDLMNAKMT2A
SCHEMBL29404544 0.73 MAPT (0.46) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL19280777 0.73 HCAR3 (0.55) NPC1RAB9AVCAM1HPGDKMT2A
SCHEMBL5734347 0.73 VCAM1 (0.68) VCAM1HPGDLMNAKMT2AMEN1

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 NPC1 2941/4885RAB9A 2293/4885SMN1; SMN2 4341/4885

“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.