SCHEMBL4890873

SCHEMBL4890873

O=C(O)C1CCN(c2ccc(=O)[nH]n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
HRH3 Q9Y5N1 3/20 0.54
KDM4E B2RXH2 2/20 0.46
CYP2C19 P33261 1/20 0.46
SMO Q99835 1/20 0.45
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NOTUM Q6P988 6/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
NEK2 P51955 1/20 0.42
APAF1 O14727 1/20 0.42
NSD2 O96028 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CASP3 P42574 1/20 0.42

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
SCHEMBL15548336 0.83 HRH3 (0.54) LMNAHTTHRH3SMONPSR1
Hydrochloric Acid SCHEMBL4941484 0.80 SMO (0.52) LMNAHTTHRH3KDM4ESMO
SCHEMBL21626550 0.80 HRH3 (0.52) LMNAHRH3KDM4ESMOUSP2
SCHEMBL31514107 0.77 HRH3 (0.48) HRH3KDM4ECYP2C19HPGDNPSR1
SCHEMBL4932706 0.74 HRH3 (0.56) HRH3KDM4ESMOHPGDMAPT
SCHEMBL3635646 0.74 BPTF (0.47) HTTHRH3KDM4EUSP2HSD17B10
SCHEMBL9214671 0.74 HRH3 (0.46) HRH3SMOMAPTKMT2AOGA
SCHEMBL29214647 0.72 GAA (0.54) HTTHRH3CYP2C19HPGDHSD17B10
SCHEMBL10072964 0.72 OGA (0.50) HRH3KDM4EPOLBOGA
Hydrochloric Acid SCHEMBL3095897 0.72 BPTF (0.46) HTTHRH3KDM4EUSP2HSD17B10

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-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-20080200431-A1 6-{4-[4-(3-Chloro-1H-indole-6-sulfonyl)-3-hydroxy-piperazine-1-carbonyl]-piperidin-1-yl}-2-methyl-2H-pyridazin-3-one for example; antithrombotic and anticoagulant; synthesis; combination therapy ASTRAZENECA AB (SE) 2008-08-21 US disclosed
WO-2007008146-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
WO-2007008143-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 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 (2 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-20080200431-A1 6-{4-[4-(3-Chloro-1H-indole-6-sulfonyl)-3-hydroxy-piperazine-1-carbonyl]-piperidin-1-yl}-2-methyl-2H-pyridazin-3-one for example; antithrombotic and anticoagulant; synthesis; combination therapy CYC1, F2, CBR1 LMNA 1352/4885HTT 799/4885HRH3 169/4885
US-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa F10, F12, F11 LMNA 1250/4885HTT 1248/4885HRH3 31/4885

“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.