SCHEMBL19980609

SCHEMBL19980609

c1ccc(-c2cc(N3c4ccccc4-c4ccc5c6c(ccc3c46)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
MAPT P10636 3/20 0.37
TSHR P16473 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
NTSR1 P30989 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
AGTR1 P30556 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
SCHEMBL21115568 0.93 HPGD (0.36) HPGDMAPTTSHRNPSR1MAPK1
SCHEMBL21111986 0.85 MAPT (0.34) HPGDMAPTTSHRNPSR1MAPK1
SCHEMBL19980471 0.85 L3MBTL1 (0.30) TSHRADORA2AADORA1LMNAPOLB
SCHEMBL21111994 0.83 PDE6D (0.32) TSHRADORA2ALMNAPOLB
SCHEMBL19980615 0.81 HPGD (0.36) HPGDMAPTTSHRNPSR1MAPK1
SCHEMBL21115497 0.80 ACP1 (0.43) MAPTTSHRNPSR1MAPK1HSD17B10
SCHEMBL19980544 0.79 PDE6D (0.31)
SCHEMBL21110655 0.78
SCHEMBL19980619 0.77 KDM4E (0.31) HPGDMAPTLMNAKMT2AMEN1
SCHEMBL19980618 0.77 HPGD (0.34) HPGDMAPTTSHRNPSR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512841-B1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2023-04-26 EP disclosed
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
WO-2018050584-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2018-03-22 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 (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 HPGD 1211/4885MAPT 1792/4885TSHR 3504/4885
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES SLCO1B3, SLCO4C1, SLCO1B1 HPGD 1211/4885MAPT 1792/4885TSHR 3504/4885

“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.