SCHEMBL20202033

SCHEMBL20202033

CN1c2ccccc2C2(c3ccccc31)c1ccccc1N1c3ccccc3Cc3cccc2c31

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.34
HTR2A P28223 3/20 0.33
NOTUM Q6P988 1/20 0.33
DRD2 P14416 2/20 0.32
DRD1 P21728 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
DRD5 P21918 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 4/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 2/20 0.31
TP53 P04637 2/20 0.31
CYP3A4 P08684 2/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 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
SCHEMBL20202025 0.91 TSHR (0.35) TSHRSMN1; SMN2HTR2ANOTUMDRD2
SCHEMBL20202030 0.91 TSHR (0.35) TSHRSMN1; SMN2HTR2ANOTUMDRD2
SCHEMBL17084399 0.87 SMN1; SMN2 (0.37) TSHRSMN1; SMN2HPGDHTR2ANOTUM
SCHEMBL20202032 0.84 MAPT (0.38) TSHRMEN1KMT2ALMNAKDM4E
SCHEMBL17014960 0.81 HTR2A (0.44) HTR2ADRD2DRD1DRD4DRD3
SCHEMBL20202031 0.79 MAPT (0.39) TSHRMEN1KMT2ALMNAKDM4E
SCHEMBL17084400 0.76 ALDH1A1 (0.41) TSHRSMN1; SMN2HPGDHTR2ADRD2
SCHEMBL17951855 0.75 HPGD (0.48) TSHRHPGDHTR2ANOTUMDRD2
SCHEMBL17084401 0.74 TSHR (0.42) TSHRSMN1; SMN2HPGDHTR2ADRD2
SCHEMBL6024750 0.72 HPGD (0.47) SMN1; SMN2HPGDHTR2ANOTUMDRD2

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-20180148462-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-31 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-20180148462-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME PKD1, ODC1, PIEZO1 TSHR 4336/4885SMN1; SMN2 4515/4885HPGD 3503/4885

“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.