SCHEMBL4574665

SCHEMBL4574665

Cc1ccc(C2(c3noc(CN4CCC(NS(=O)(=O)c5ccccc5)CC4)n3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 3/20 0.51
HTR7 P34969 5/20 0.45
HTR1A P08908 3/20 0.45
CCR3 P51677 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
THRB P10828 1/20 0.42
MCOLN2 Q8IZK6 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
MCOLN1 Q9GZU1 1/20 0.42
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41

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
SCHEMBL8223152 0.96 KMT2A (0.60) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4575185 0.96 KMT2A (0.59) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4575246 0.91 HTT (0.57) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8224526 0.91 CCR3 (0.53) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8226396 0.90 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4574616 0.89 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8220554 0.88 CCR3 (0.52) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8221253 0.85 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4574619 0.79 KMT2A (0.67) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8223148 0.77 PKM (0.47) KMT2AMEN1ALDH1A1MAPTLMNA

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
WO-2008050200-A1 OXADIAZOLE COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-02 WO claimed
US-20210128537-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF PRAXIS PREC MEDICINES INC (US) 2021-05-06 US disclosed
US-20210038589-A1 USES, COMPOSITIONS AND METHODS FISAHN ANDRE (SE) 2021-02-11 US disclosed
WO-2008050200-A1 OXADIAZOLE COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-02 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-20210038589-A1 USES, COMPOSITIONS AND METHODS APP, CACNA1G, CACNA1B KMT2A 4104/4885MEN1 1334/4885ALDH1A1 2709/4885
US-20210128537-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF CACNA1G, CACNA1H, CACNA1I KMT2A 1538/4885MEN1 1786/4885ALDH1A1 3980/4885

“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.