SCHEMBL3746022

SCHEMBL3746022

CCOC(=O)c1cc2cc(Oc3nc4ccccc4s3)ccc2n1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
EPHX2 P34913 2/20 0.42
KDM4E B2RXH2 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
LTA4H P09960 9/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KCNH2 Q12809 4/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL3745469 0.81 CYP1A2 (0.46) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3745067 0.81 CYP1A2 (0.46) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL744882 0.74 LTA4H (0.60) LTA4HKCNH2
SCHEMBL3616598 0.74 PTGDR2 (0.59) SMN1; SMN2CYP1A2CYP2C19MEN1KMT2A
SCHEMBL744472 0.74 LTA4H (0.61) LTA4HKCNH2
SCHEMBL3259707 0.73 NOD2 (0.71) SMN1; SMN2MEN1KMT2AMAPTNOD2
SCHEMBL744947 0.72 LTA4H (0.58) LTA4HKCNH2
SCHEMBL18592605 0.70 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8689838 0.70 ALDH1A1 (0.54) SMN1; SMN2MEN1KMT2AMAPTNPSR1
SCHEMBL7751603 0.70 NOD2 (0.50) SMN1; SMN2MEN1KMT2AMAPTNPSR1

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 SMN1; SMN2 4691/4885CYP1A2 680/4885CYP3A4 140/4885

“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.