SCHEMBL7322303

SCHEMBL7322303

OC1(c2ccccc2)c2ccccc2Sc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.44
P2RX3 P56373 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
BCHE P06276 4/20 0.38
ACHE P22303 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAOA P21397 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CNR1 P21554 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL21880254 0.88 BCHE (0.35) P2RX1P2RX3P2RX4P2RX7BCHE
SCHEMBL23125610 0.85 BCHE (0.45) P2RX1P2RX3P2RX4P2RX7BCHE
SCHEMBL7310248 0.84 BCHE (0.39) P2RX1P2RX3P2RX4P2RX7BCHE
SCHEMBL1758787 0.81 P2RX1 (0.53) P2RX1P2RX3P2RX4P2RX7TDP1
SCHEMBL7320476 0.80 LMNA (0.42) BCHEACHEMEN1KMT2APOLB
SCHEMBL13848433 0.80 PDK2 (0.38) BCHETDP1MEN1KMT2ACYP3A4
SCHEMBL11628677 0.80 MAPT (0.40) P2RX1P2RX3P2RX4P2RX7MEN1
SCHEMBL26208917 0.79 P2RX1 (0.47) P2RX1P2RX3P2RX4P2RX7TDP1
SCHEMBL888093 0.77 NPC1 (0.40) BCHECYP1A2CYP3A4GAAMAPT
SCHEMBL13940072 0.77 PDK2 (0.40) P2RX1P2RX3P2RX4P2RX7BCHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954254-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-03-23 US disclosed
US-6162824-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ALLELIX NEUROSCIENCE INC. 2000-12-19 US disclosed
WO-1999041227-A1 TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS ALLELIX NEUROSCIENCE, INC. (US) 1999-08-19 WO 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-10954254-B2 Heterocyclic compound and organic light-emitting device including the same TYR, DDT, LEF1 P2RX1 985/4885P2RX3 1801/4885P2RX4 1046/4885

“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.