SCHEMBL19980433

SCHEMBL19980433

c1ccc2c(c1)-c1ccccc1C21c2ncccc2-c2cc3[nH]c4ccccc4c3c3cccc1c23

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
GABRA1 P14867 4/20 0.36
GABRG2 P18507 4/20 0.36
GABRB3 P28472 4/20 0.36
GABRA5 P31644 4/20 0.36
GABRA3 P34903 4/20 0.36
GABRA2 P47869 4/20 0.36
TOP2A P11388 1/20 0.36
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
PARP1 P09874 4/20 0.34
MAP3K9 P80192 1/20 0.33
MAP3K11 Q16584 1/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 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
SCHEMBL19980374 0.86 KDM4E (0.41) KDM4ELMNAHTTGABRA1GABRG2
SCHEMBL19980551 0.86 KDM4E (0.36) KDM4ELMNAHTTGABRA1GABRG2
SCHEMBL19980552 0.81 CDK4 (0.44) KDM4ELMNAHTTGABRA1GABRG2
SCHEMBL19009208 0.74 KMT2A (0.41) KDM4ELMNAHTT
SCHEMBL30322773 0.74 KMT2A (0.41) KDM4ELMNAHTT
SCHEMBL19980421 0.74 CYP1A2 (0.41) LMNAHTT
SCHEMBL19980423 0.72 ALDH1A1 (0.39) KDM4ELMNAHTTPARP1
SCHEMBL19567023 0.72 ALDH1A1 (0.39) KDM4ELMNAHTTPARP1
SCHEMBL12490627 0.71 ALDH1A1 (0.48) KDM4ELMNAHTTGABRA1GABRG2
SCHEMBL21303002 0.71 ALDH1A1 (0.48) KDM4ELMNAHTTGABRA1GABRG2

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 KDM4E 4250/4885LMNA 2809/4885HTT 275/4885
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES SLCO1B3, SLCO4C1, SLCO1B1 KDM4E 4250/4885LMNA 2809/4885HTT 275/4885

“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.