SCHEMBL21362375

SCHEMBL21362375

c1ccc(N(c2cc(Oc3ccccn3)cc3c2oc2ccccc23)c2cc(-n3ccnc3)cc3c2oc2ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
USP2 O75604 2/20 0.40
ALOX15 P16050 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
NOS2 P35228 1/20 0.35
PTGS2 P35354 1/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP19A1 P11511 6/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL21362369 0.91 TSHR (0.39) TSHRUSP2ALOX15KDM4EPOLB
SCHEMBL21362293 0.87 NPC1 (0.45) USP2POLBHPGDNPC1MAPT
SCHEMBL21362290 0.80 PTGS2 (0.35) USP2NPC1MAPTPTGS2LMNA
SCHEMBL21362350 0.79 NOS2 (0.39) USP2NPC1MAPTNOS2PTGS2
SCHEMBL21362324 0.78 NPC1 (0.40) USP2NPC1MAPTNOS2PTGS2
SCHEMBL21362326 0.76 NPC1 (0.40) POLBNPC1MAPTNOS2PTGS2
SCHEMBL21362373 0.76 NPC1 (0.41) USP2POLBNPC1MAPTNOS2
SCHEMBL21362289 0.74 PTGS2 (0.34) USP2NPC1MAPTPTGS2LMNA
SCHEMBL23437639 0.69 CYP3A4 (0.44) TSHRALOX15CYP3A4CYP19A1CYP11B1
SCHEMBL21362292 0.69 NPC1 (0.50) TSHRUSP2KDM4EPOLBNPC1

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-20190288223-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 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-20190288223-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TPO, RPLP0, RPS10 TSHR 92/4885USP2 3433/4885ALOX15 1928/4885

“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.