SCHEMBL5999639

SCHEMBL5999639

NCCc1ccc(Cl)cc1Oc1ccc2ncsc2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 13/20 0.41
▸ PKM P14618 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HTR2A P28223 12/20 0.39
▸ KCNH2 Q12809 12/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ PFKFB3 Q16875 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL5999633 0.82 HTR2A (0.62) SLC6A4HTR2AKCNH2
SCHEMBL18004134 0.76 NPC1 (0.49) SLC6A4PKMTDP1DRD2NPC1
SCHEMBL5503447 0.72 HTR2A (0.41) SLC6A4HTR2AKCNH2MEN1KMT2A
SCHEMBL593507 0.71 NPC1 (0.54) SLC6A4PKMTDP1DRD2NPC1
SCHEMBL14127183 0.71 NPC1 (0.54) SLC6A4PKMTDP1DRD2NPC1
SCHEMBL9845965 0.70 DRD2 (0.45) PKMTDP1DRD2NPC1RAB9A
SCHEMBL5497556 0.69 HTR2A (0.41) SLC6A4HTR2AKCNH2MEN1KMT2A
SCHEMBL5501871 0.69 SLC6A4 (0.39) SLC6A4HTR2AKCNH2
SCHEMBL5502199 0.69 SLC6A4 (0.46) SLC6A4HTR2AKCNH2
SCHEMBL5998632 0.69 NOS1 (0.51) SLC6A4TDP1HTR2AKCNH2RAB9A

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-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 — — 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-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B SLC6A4 150/4885PKM 1621/4885TDP1 2051/4885

“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.

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