SCHEMBL19974401

SCHEMBL19974401

Clc1ccc2c3c(cccc13)N(c1cc(-c3ccccc3)nc(-c3ccccc3)n1)c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
MAPT P10636 4/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PLAUR Q03405 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NTSR1 P30989 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
ERCC1 P07992 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL30343468 1.00 HPGD (0.42) HPGDMAPTTSHRMAPK1NPSR1
SCHEMBL19980358 0.85 KMT2A (0.42) HPGDMAPTTSHRKMT2AMEN1
SCHEMBL19980354 0.78 PLA2G2A (0.39) HPGDMAPTTSHRMAPK1HSD17B10
SCHEMBL19980615 0.77 HPGD (0.36) HPGDMAPTTSHRMAPK1NPSR1
SCHEMBL19980609 0.76 HPGD (0.41) HPGDMAPTTSHRMAPK1NPSR1
SCHEMBL18624377 0.75 HPGD (0.42) HPGDMAPTTSHRMAPK1NPSR1
SCHEMBL18810942 0.75 KMT2A (0.46) HPGDMAPTTSHRNPSR1KMT2A
SCHEMBL30607082 0.75 KMT2A (0.46) HPGDMAPTTSHRNPSR1KMT2A
SCHEMBL19980618 0.74 HPGD (0.34) HPGDMAPTTSHRMAPK1NPSR1
SCHEMBL16389519 0.74 HPGD (0.39) HPGDMAPTTSHRMAPK1NPSR1

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 9 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
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-11447464-B2 Compounds with spirobifluorene-structures MERCK PATENT GMBH (DE) 2022-09-20 US disclosed
EP-3512841-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES Merck Patent GmbH (DE) 2019-07-24 EP disclosed
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2019-06-27 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
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.