SCHEMBL21162276

SCHEMBL21162276

N[C@H]1C(SI)=CC=C[C@@H]1c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.31
MAOA P21397 7/20 0.31
KDM1A O60341 5/20 0.31
CYP2C19 P33261 4/20 0.31
CYP2B6 P20813 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
LMNA P02545 2/20 0.31
TAAR1 Q96RJ0 2/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2A6 P11509 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL29345313 0.72 MAOB (0.34) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL20860346 0.70 MAOB (0.33) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL21162109 0.68 HTR2C (0.33) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL30311727 0.63 RECQL (0.40) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL21162132 0.63 MAOB (0.41) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL14652740 0.63 MAOB (0.41) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL15583493 0.58 CYP1A2 (0.38) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL25073514 0.57 CYP2C19 (0.33) CYP2C19HTR1A
SCHEMBL21162106 0.57 HTR2A (0.39) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL1846873 0.56

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-10336737-B2 Metal catalyzed dearomative 1,2-carboamination THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-07-02 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-10336737-B2 Metal catalyzed dearomative 1,2-carboamination DNTT, DIMT1, NMT1 MAOB 690/4885MAOA 694/4885KDM1A 1904/4885

“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.