SCHEMBL2407488

SCHEMBL2407488

[CH2]Cc1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.70
RAB9A P51151 2/20 0.57
ALDH1A1 P00352 3/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
HTR3A P46098 1/20 0.56
BACE1 P56817 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
F10 P00742 1/20 0.55
HPGD P15428 3/20 0.51
PSMB8 P28062 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EGFR P00533 4/20 0.51
ERBB2 P04626 2/20 0.51
IDO1 P14902 1/20 0.51
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL17513211 0.86 TDP1 (0.66) TDP1RAB9AALDH1A1HTR3EHTR3B
SCHEMBL5100448 0.86 TDP1 (0.51) TDP1RAB9AALDH1A1HTR3EHTR3B
SCHEMBL30040705 0.84 TDP1 (0.72) TDP1RAB9AALDH1A1HTR3EHTR3B
SCHEMBL656416 0.84 TDP1 (0.72) TDP1RAB9AALDH1A1HTR3EHTR3B
SCHEMBL18291871 0.82 TDP1 (0.70) TDP1RAB9AALDH1A1HTR3EHTR3B
SCHEMBL12636194 0.82 TDP1 (1.00) TDP1RAB9AALDH1A1HTR3EHTR3B
SCHEMBL8490941 0.82 TDP1 (0.70) TDP1RAB9AALDH1A1HTR3EHTR3B
SCHEMBL4354084 0.82 TDP1 (0.70) TDP1RAB9AALDH1A1HTR3EHTR3B
SCHEMBL29409142 0.82 TDP1 (0.70) TDP1RAB9AALDH1A1HTR3EHTR3B
SCHEMBL9426469 0.81 TDP1 (0.64) TDP1RAB9AALDH1A1HTR3EHTR3B

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 TDP1 4608/4885RAB9A 2150/4885ALDH1A1 2292/4885

“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.