SCHEMBL7128318

SCHEMBL7128318

Clc1ncc(Cc2ccccc2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.42
PAX8 Q06710 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
PMP22 Q01453 1/20 0.41
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CALM1 P0DP23 1/20 0.39
CTRC Q99895 2/20 0.39
ADORA2A P29274 1/20 0.38
BCL2 P10415 1/20 0.38

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
SCHEMBL3159683 0.88 CYP11B1 (0.44) METCYP11B1CYP11B2CYP3A4LMNA
SCHEMBL4830003 0.80 CYP11B1 (0.42) PAX8CYP11B1CYP11B2
SCHEMBL31308997 0.79 PDE4A (0.41) CYP3A4MEN1KMT2ALMNAMAPT
SCHEMBL22093967 0.79 PDE4A (0.41) CYP3A4MEN1KMT2ALMNAMAPT
SCHEMBL6844790 0.79 PDXK (0.50) CYP3A4LMNAMAPTAPEX1MAPK1
SCHEMBL4824943 0.77 KCNH2 (0.43) CYP11B1CYP11B2
SCHEMBL11815604 0.77 PDE4A (0.39) CYP3A4MEN1KMT2ALMNAMAPT
SCHEMBL22094485 0.76 SLC6A4 (0.44) CYP3A4LMNAMAPTAPEX1MAPK1
SCHEMBL16486606 0.76 AOC3 (0.42) CYP3A4MEN1KMT2AHPGDALOX15
SCHEMBL31308891 0.76 SLC6A4 (0.44) CYP3A4LMNAMAPTAPEX1MAPK1

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-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 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 (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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 MET 224/4885PAX8 4283/4885CYP11B1 112/4885

“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.