SCHEMBL2406207

SCHEMBL2406207

Cc1nccc(-c2cc(Cl)cc(Cl)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 4/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMO O15229 3/20 0.41
AAK1 Q2M2I8 1/20 0.40
HTT P42858 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 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
SCHEMBL2406094 0.84 KMO (0.59) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL30885726 0.82 KDM4E (0.59) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL9633293 0.82 KDM4E (0.59) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL17051402 0.80 KDM4E (0.51) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL2402821 0.78 KMO (0.65) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL18538205 0.77 SMN1; SMN2 (0.44) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL13989124 0.77 LMNA (0.43) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL9355962 0.76 KDM4E (0.53) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL19009226 0.76 KDM4E (0.47) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL29900490 0.76 KDM4E (0.47) KDM4EALDH1A1POLBLMNAMAPT

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 KDM4E 452/4885ALDH1A1 2292/4885POLB 4374/4885

“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.