SCHEMBL7125896

SCHEMBL7125896

Nc1cc(Cl)cc(N)c1-c1noc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.49
ESR2 Q92731 6/20 0.49
HIF1A Q16665 3/20 0.43
LCK P06239 1/20 0.40
NR4A2 P43354 1/20 0.40
LMNA P02545 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
MAOB P27338 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
HSP90AA1 P07900 2/20 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
SCHEMBL7119209 0.81 EPHX2 (0.46) ESR1ESR2LCKLMNACA12
SCHEMBL28635711 0.73 PTGS1 (0.55) ESR1ESR2HIF1AGAARAB9A
SCHEMBL9469039 0.73 KDM4E (0.49) ESR1ESR2LMNACA12CA1
SCHEMBL5992116 0.72 ESR1 (0.59) ESR1ESR2HIF1ALMNAHSP90AA1
SCHEMBL31256743 0.71 ESR1 (0.54) ESR1ESR2HIF1AHSP90AA1FFAR4
SCHEMBL28430363 0.70 ESR1 (0.56) ESR1ESR2LMNACA12CA1
SCHEMBL8589250 0.69 ESR1 (0.47) ESR1ESR2HIF1ALCKLMNA
SCHEMBL541948 0.69 ESR1 (0.55) ESR1ESR2HIF1ANR4A2LMNA
Methylamine SCHEMBL27463475 0.68 ESR1 (0.50) ESR1ESR2LMNACA12CA1
SCHEMBL6714356 0.68 ESR1 (0.50) ESR1ESR2HIF1ALMNAHSP90AA1

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 ESR1 1382/4885ESR2 889/4885HIF1A 1593/4885

“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.