SCHEMBL17486169

SCHEMBL17486169

c1ccc2c(c1)ccc1c3c(cnc12)C1CC2CC(C1)CC3C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HPRT1 P00492 1/20 0.32
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM1A O60341 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
APEX1 P27695 1/20 0.30
MAPK1 P28482 1/20 0.30
PMP22 Q01453 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
SCHEMBL16582826 0.84 ACHE (0.38) KMT2AMEN1NPC1RAB9AHPRT1
SCHEMBL16582710 0.82 CYP1B1 (0.34) KMT2AMEN1NPC1RAB9AHPRT1
SCHEMBL17971402 0.78 SMN1; SMN2 (0.37) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL16905566 0.76 KMT2A (0.36) KMT2AMEN1NPC1RAB9AHPRT1
SCHEMBL17971395 0.75 CCR1 (0.35) KMT2AMEN1NPC1MAPTL3MBTL1
SCHEMBL17971401 0.75 ALDH1A1 (0.35) L3MBTL1ALDH1A1HPGDTSHRHSD17B10
SCHEMBL16582573 0.75 KDM4E (0.33) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL19859937 0.74
SCHEMBL18309494 0.73 KMT2A (0.33) KMT2AMEN1NPC1RAB9AHPRT1
SCHEMBL19561599 0.73 KMT2A (0.33) KMT2AMEN1NPC1RAB9AHPRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11005050-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-05-11 US disclosed
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
US-9893299-B2 Heterocyclic compounds MERCK PATENT GMBH (DE) 2018-02-13 US disclosed
US-9893299-B2 Heterocyclic compounds MERCK PATENT GMBH (DE) 2018-02-13 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
EP-3094638-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-11-08 EP disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20160365520-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-12-15 US disclosed
US-20160365520-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-12-15 US disclosed
US-20160226003-A1 HETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2016-08-04 US disclosed
US-20160226003-A1 HETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2016-08-04 US disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 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 (4 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-20160226003-A1 HETEROCYCLIC COMPOUNDS ERCC1, VDAC2, NES KMT2A 1631/4885MEN1 733/4885NPC1 2793/4885
US-11005050-B2 Metal complexes SOD1, AP1M1, AP3M1 KMT2A 2922/4885MEN1 989/4885NPC1 3516/4885
US-20160365520-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 KMT2A 2922/4885MEN1 989/4885NPC1 3516/4885
US-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 KMT2A 2922/4885MEN1 989/4885NPC1 3516/4885

“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.