SCHEMBL3748683

SCHEMBL3748683

CC(O)c1c[nH]c2ccc(Oc3nc4ccccc4s3)cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LTA4H P09960 14/20 0.45
EPHX2 P34913 3/20 0.45
KCNH2 Q12809 2/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CTSD P07339 1/20 0.37

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
SCHEMBL22209107 0.75 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL745415 0.73 LTA4H (0.63) LTA4HEPHX2KCNH2MAPK1
SCHEMBL741863 0.73 LTA4H (0.46) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL3746253 0.73 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL744693 0.72 LTA4H (0.65) LTA4HKCNH2MAPK1
SCHEMBL744236 0.71 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL744899 0.71 LTA4H (0.64) LTA4HKCNH2HTR2A
SCHEMBL742958 0.71 LTA4H (0.67) LTA4HEPHX2KCNH2
SCHEMBL11471037 0.71 CYP1A2 (0.73) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL3744629 0.70 CYP1A2 (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430019-B1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-09-18 EP disclosed
US-8399465-B2 Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 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 (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-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R CYP1A2 680/4885CYP3A4 140/4885CYP2D6 540/4885

“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.