SCHEMBL3472430

SCHEMBL3472430

O=Cc1ccc(C(=O)NCc2cccc(Cl)c2)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
LMNA P02545 1/20 0.58
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
HPGD P15428 2/20 0.51
CYP2C19 P33261 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HDAC1 Q13547 1/20 0.46
CXCR3 P49682 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL8219612 0.88 KMT2A (0.48) KMT2AMEN1MAPTMAPK1LMNA
SCHEMBL31546669 0.84 KMT2A (0.62) KMT2AMEN1MAPTMAPK1LMNA
SCHEMBL3472249 0.79 LMNA (0.59) KMT2AMEN1MAPTMAPK1LMNA
SCHEMBL5332860 0.76 NPC1 (0.72) KMT2AMEN1MAPK1CYP1A2CYP3A4
SCHEMBL15653247 0.76 NPC1 (0.61) KMT2AMEN1MAPK1CYP1A2HPGD
SCHEMBL3472678 0.75 LMNA (0.55) KMT2AMEN1MAPTMAPK1LMNA
SCHEMBL3473089 0.75 LMNA (0.52) KMT2AMEN1MAPTMAPK1LMNA
SCHEMBL1455766 0.75 SMN1; SMN2 (0.77) KMT2AMEN1MAPTMAPK1LMNA
SCHEMBL3473431 0.74 LMNA (0.54) KMT2AMEN1MAPTMAPK1LMNA
SCHEMBL95732 0.74 NPC1 (0.61) KMT2AMEN1MAPTMAPK1CYP1A2

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 KMT2A 827/4885MEN1 2246/4885MAPT 3748/4885

“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.