SCHEMBL620929

SCHEMBL620929

Cc1ccc2c(c1)c1c(n2Cc2ccccc2)CCCN(c2ccccc2)C1=S(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNB3 P54284 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNG7 P62955 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNG1 Q06432 1/20 0.41
CACNB2 Q08289 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
CACNA1E Q15878 1/20 0.41
CACNA2D4 Q7Z3S7 1/20 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
SCHEMBL6925062 0.77 PTGS1 (0.58) KMT2ALMNACACNB4CACNA1ACACNA1G
SCHEMBL10155030 0.74 BCHE (0.60) KMT2ALMNA
SCHEMBL8036738 0.72 ADRA2A (0.58) KMT2ACACNB4CACNA1ACACNA1GCACNG3
SCHEMBL8038623 0.71 HRH1 (0.70) KMT2ALMNAADRA2AADRA1ADRD2
SCHEMBL8025075 0.69 PTGDR2 (0.56) ADRA2AADRA1ADRD2HTR2AHTR2C
SCHEMBL679026 0.68 KMT2A (0.64) KMT2ALMNACACNB4CACNA1ACACNA1G
SCHEMBL620928 0.68 HTR6 (0.51) KMT2ALMNAADRA2AADRA1ADRD2
SCHEMBL6920465 0.68 HDAC1 (0.64) KMT2ALMNACACNB4CACNA1ACACNA1G
SCHEMBL8034676 0.67 HDAC1 (0.51) KMT2AADRA2AADRA1ADRD2HTR2A
SCHEMBL10155062 0.67 ADRA2A (0.49) KMT2ALMNACACNB4CACNA1ACACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 US 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 (1 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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC KMT2A 4146/4885LMNA 2065/4885CACNB4 1340/4885

“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.