SCHEMBL13436342

SCHEMBL13436342

CCOc1ccc(-n2cc3ccccc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
PTGS2 P35354 1/20 0.46
MAPT P10636 5/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
BACE1 P56817 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
GCG P01275 1/20 0.44
GCGR P47871 1/20 0.44
AURKA O14965 1/20 0.44
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43

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
SCHEMBL1872760 0.83 HTT (0.57) MAPTNPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL7848179 0.82 ESR2 (0.55) MAPTNPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL28748636 0.80 ADORA3 (0.46) PTGS2MAPTNPC1KDM4ERAB9A
SCHEMBL14005778 0.77 ADORA3 (0.54) MAPTNPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL2979520 0.76 ESR2 (0.62) MAPTNPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL1879652 0.76 HRH3 (0.55)
SCHEMBL28173544 0.76 RXRA (0.43) MAPTNPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL3853197 0.74 ESR2 (0.47) MAPTNPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL2264916 0.74 ESR2 (0.47) PTGS2MAPTNPC1KDM4ERAB9A
SCHEMBL19961707 0.74 NOTUM (0.47) NOTUMMAPTNPC1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674802-B2 leukotriene A4 hydrolase inhibitors; biaryl nitrogen-attached heterocycles DECODE GENETICS, EHF (IS) 2010-03-09 US disclosed
US-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-21 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-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S NOTUM 578/4885PTGS2 22/4885MAPT 4521/4885

“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.