SCHEMBL1903808

SCHEMBL1903808

O=C(O)c1ccc(Oc2nc3ccccc3s2)cc1F

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ LTA4H P09960 13/20 0.56
▸ EPHX2 P34913 8/20 0.56
▸ CTSD P07339 1/20 0.47
▸ KCNH2 Q12809 3/20 0.46
▸ PPARG P37231 1/20 0.45
▸ PPARA Q07869 1/20 0.45

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
SCHEMBL3491330 0.79 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL1905934 0.79 LTA4H (0.62) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL1903396 0.76 LTA4H (0.60) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL11471037 0.76 CYP1A2 (0.73) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL3500786 0.75 SMN1; SMN2 (0.69) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL3745388 0.75 KMT2A (0.63) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL27245275 0.75 SRD5A2 (0.57) CYP3A4CYP2C19LTA4H
SCHEMBL357361 0.74 SMN1; SMN2 (0.71) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL23960463 0.72 EPHX2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL8683981 0.72 CYP1A2 (0.68) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367719-B2 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 — — US disclosed
US-8344008-B2 Aryl-substituted bridged or fused diamines as modulators of leukotriene A ydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-01-01 — — US disclosed
US-20110263639-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase Janseen Pharmaceutical NV 2011-10-27 — — US disclosed
US-20110257153-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICAL NV 2011-10-20 — — US disclosed
US-7935725-B2 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2011-05-03 — — US disclosed
EP-2217237-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE Janssen Pharmaceutica N.V. (BE) 2010-08-18 — — EP disclosed
WO-2009058347-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 — — WO disclosed
US-20090111794-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 — — US 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 (3 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-20090111794-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S CYP1A2 2013/4885CYP3A4 650/4885CYP2D6 736/4885
US-20110263639-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S CYP1A2 2013/4885CYP3A4 650/4885CYP2D6 736/4885
US-20110257153-A1 Aryl-substituted bridged or fused diamines as modulators of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S CYP1A2 2013/4885CYP3A4 650/4885CYP2D6 736/4885

“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.

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