SCHEMBL4845703

SCHEMBL4845703

CC(=O)c1ccc2c(c1)N(CC1CO1)c1ccccc1S2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.58
▸ DRD2 P14416 4/20 0.58
▸ ADRA1A P35348 4/20 0.58
▸ DRD3 P35462 4/20 0.58
▸ KCNH2 Q12809 4/20 0.58
▸ SLC6A2 P23975 3/20 0.58
▸ SLC6A4 P31645 3/20 0.58
▸ SLC6A3 Q01959 3/20 0.58
▸ CYP1A2 P05177 3/20 0.58
▸ CHRM2 P08172 3/20 0.58
▸ CYP2D6 P10635 3/20 0.58
▸ CHRM1 P11229 3/20 0.58
▸ LMNA P02545 3/20 0.58
▸ ADRA2A P08913 2/20 0.58
▸ DRD1 P21728 2/20 0.58
▸ TSHR P16473 2/20 0.58
▸ OPRM1 P35372 2/20 0.58
▸ PRNP P04156 1/20 0.58
▸ TBXA2R P21731 1/20 0.58
▸ NOX1 Q9Y5S8 3/20 0.57

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
SCHEMBL4313601 0.82 CYP2D6 (0.53) HTR1ADRD2ADRA1ADRD3KCNH2
SCHEMBL14196858 0.82 HDAC6 (0.43) HTR1ADRD2ADRA1ADRD3KCNH2
SCHEMBL27573856 0.81 LMNA (0.68) HTR1ADRD2ADRA1ADRD3KCNH2
SCHEMBL9475738 0.79 HTR1A (0.77) HTR1ADRD2ADRA1ADRD3KCNH2
SCHEMBL24439565 0.77 HRH1 (0.77) HTR1ADRD2ADRA1ADRD3KCNH2
SCHEMBL4730313 0.77 HTR1A (0.76) HTR1ADRD2ADRA1ADRD3KCNH2
SCHEMBL26003736 0.76 FPR2 (0.48) HTR1ADRD2ADRA1ADRD3KCNH2
SCHEMBL14809789 0.76 FPR2 (0.57) HTR1ADRD2ADRA1ADRD3KCNH2
SCHEMBL9380936 0.76 HTR1A (0.74) HTR1ADRD2ADRA1ADRD3KCNH2
SCHEMBL29062451 0.76 HTR1A (0.74) HTR1ADRD2ADRA1ADRD3KCNH2

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-7364825-B2 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-29 — — US disclosed
US-20060177750-A1 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group S-PRINTING SOLUTION CO., LTD. (KR) 2006-08-10 — — 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-20060177750-A1 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group SLC1A2, SLC9B2, SLC6A19 HTR1A 931/4885DRD2 1707/4885ADRA1A 2576/4885

“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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