SCHEMBL21115573

SCHEMBL21115573

O=Cc1ccccc1-c1ccc2c3c(cccc13)N(c1cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c1)c1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.38
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
PLAUR Q03405 2/20 0.33
PDE6D O43924 1/20 0.32
PTGS2 P35354 1/20 0.32
POLB P06746 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN5 P54829 1/20 0.31
PTPN11 Q06124 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
EIF4E P06730 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30

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
SCHEMBL19980358 0.82 KMT2A (0.42) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL19980357 0.80 GRM5 (0.42) GRM5KDM4EMEN1KMT2AALDH1A1
SCHEMBL18624534 0.76 KDM4E (0.40) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL18624387 0.73 MEN1 (0.38) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL16389490 0.73 KMT2A (0.39) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL18624532 0.73 MEN1 (0.40) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL26165233 0.73 CYP1A1 (0.41) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL24253979 0.72 ALDH1A1 (0.37) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL16884806 0.72 MEN1 (0.41) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL24254086 0.72 PDE6D (0.43) MEN1KMT2AALDH1A1MAPTHPGD

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-11447464-B2 Compounds with spirobifluorene-structures MERCK PATENT GMBH (DE) 2022-09-20 US disclosed
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2019-06-27 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 (2 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-11447464-B2 Compounds with spirobifluorene-structures SLCO1B3, SLCO4C1, SLCO1B1 GRM5 3001/4885KDM4E 4250/4885MEN1 1205/4885
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES SLCO1B3, SLCO4C1, SLCO1B1 GRM5 3001/4885KDM4E 4250/4885MEN1 1205/4885

“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.