SCHEMBL2404018

SCHEMBL2404018

Cc1ncc(-c2cccc(Cl)c2Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
P2RX7 Q99572 3/20 0.39
LIMK1 P53667 5/20 0.39
ADORA2A P29274 1/20 0.38
CNR2 P34972 7/20 0.38
KCNA5 P22460 1/20 0.37
NOTUM Q6P988 1/20 0.37
CNR1 P21554 1/20 0.36

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
SCHEMBL2440919 0.86 LIMK1 (0.48) LIMK1ADORA2A
SCHEMBL2444868 0.83 CTSA (0.41) LIMK1ADORA2A
SCHEMBL21091358 0.78 HPGD (0.43) IDO1LIMK1
SCHEMBL2403892 0.75 PIK3CD (0.37) LIMK1ADORA2A
SCHEMBL12947909 0.71 ALDH1A1 (0.43) IDO1LIMK1ADORA2A
SCHEMBL5536337 0.71 CASR (0.42) IDO1
SCHEMBL21091598 0.71 LIMK1 (0.37) LIMK1ADORA2A
SCHEMBL2405326 0.71 AOC3 (0.44) ADORA2ACNR1
SCHEMBL2435795 0.70 PTPN11 (0.51) P2RX7NOTUM
SCHEMBL17194976 0.70 PDE3B (0.33) LIMK1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 IDO1 993/4885P2RX7 216/4885LIMK1 4439/4885

“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.