SCHEMBL16058331

SCHEMBL16058331

Brc1cccc2cccc(-c3ccccn3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
LMNA P02545 4/20 0.48
TP53 P04637 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
MAPK1 P28482 3/20 0.48
ALOX15 P16050 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
HTT P42858 2/20 0.48
ALPL P05186 1/20 0.48
HSP90AA1 P07900 1/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL26260016 0.87 KDM4E (0.58) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL750980 0.81 KDM4E (0.56) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL29765883 0.81 KDM4E (0.56) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL8730491 0.79 KDM4E (0.50) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL751816 0.79 KDM4E (0.54) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL4620919 0.79 KDM4E (0.48) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL30017935 0.77 KDM4E (0.56) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL1770622 0.76 KDM4E (0.46) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL18319296 0.76 KDM4E (0.46) KDM4ELMNATP53SMN1; SMN2L3MBTL1
SCHEMBL26774360 0.76 KDM4E (0.50) KDM4ELMNATP53SMN1; SMN2L3MBTL1

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 7 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
US-9815746-B2 Stereodynamic chemosensors GEORGETOWN UNIVERSITY (US) 2017-11-14 US disclosed
US-20160039723-A1 STEREODYNAMIC CHEMOSENSORS GEORGETOWN UNIVERSITY (US) 2016-02-11 US disclosed
WO-2014144197-A1 STEREODYNAMIC CHEMOSENSORS GEORGETOWN UNIVERSITY (US) 2014-09-18 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 (3 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 KDM4E 4250/4885LMNA 2809/4885TP53 3935/4885
US-20160039723-A1 STEREODYNAMIC CHEMOSENSORS ENO1, EDNRA, OPRL1 KDM4E 4547/4885LMNA 4292/4885TP53 3460/4885
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES SLCO1B3, SLCO4C1, SLCO1B1 KDM4E 4250/4885LMNA 2809/4885TP53 3935/4885

“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.