SCHEMBL4414253

SCHEMBL4414253

O=C(Cn1nc(C(=O)O)c2ccccc21)Nc1ccc(Cl)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
PMP22 Q01453 1/20 0.53
HIF1A Q16665 1/20 0.53
RAB9A P51151 4/20 0.52
LMNA P02545 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 1/20 0.52
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47

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
SCHEMBL4416019 0.77 GRM5 (0.43) TSHRNPSR1ALDH1A1LMNAPOLB
SCHEMBL4416222 0.76 F10 (0.43) SMN1; SMN2TSHRALDH1A1LMNAL3MBTL1
SCHEMBL28726087 0.74 HSD17B10 (0.65) SMN1; SMN2TSHRNPSR1ALDH1A1CYP1A2
SCHEMBL3500587 0.74 CYP1A2 (0.70) TSHRNPSR1ALDH1A1CYP1A2CYP3A4
SCHEMBL30493974 0.74 CYP1A2 (0.70) TSHRNPSR1ALDH1A1CYP1A2CYP3A4
SCHEMBL4055641 0.73 NPC1 (0.52) SMN1; SMN2TSHRNPSR1ALDH1A1CYP1A2
SCHEMBL3367236 0.73 F10 (0.61) SMN1; SMN2TSHRNPSR1ALDH1A1RAB9A
SCHEMBL3963966 0.73 F10 (0.62) SMN1; SMN2TSHRNPSR1ALDH1A1RAB9A
SCHEMBL2782641 0.72 LMNA (0.55) SMN1; SMN2TSHRNPSR1ALDH1A1RAB9A
SCHEMBL2784125 0.71 LMNA (0.52) SMN1; SMN2TSHRNPSR1ALDH1A1RAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628972-B1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-04-22 EP claimed
EP-1628972-A1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-01 EP claimed
US-20040235824-A1 Indazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-25 US claimed
WO-2004101556-A1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO claimed
EP-1479675-A1 Indazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP claimed
EP-1628972-B1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-04-22 EP disclosed
US-7365088-B2 Indazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-29 US disclosed
EP-1628972-A1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-01 EP disclosed
US-20040235824-A1 Indazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-25 US disclosed
WO-2004101556-A1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed
EP-1479675-A1 Indazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP 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-20040235824-A1 Indazole-derivatives as factor Xa inhibitors F11, F12, F5 SMN1; SMN2 3758/4885TSHR 1671/4885NPSR1 2826/4885

“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.