SCHEMBL17259231

SCHEMBL17259231

CC(C)(C)n1nc(C=O)cc1-c1ccc(N2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
MAPT P10636 5/20 0.37
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CCR6 P51684 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
GFER P55789 1/20 0.34
DHODH Q02127 1/20 0.34
SIRT2 Q8IXJ6 2/20 0.34
SIRT1 Q96EB6 2/20 0.34

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
SCHEMBL17259269 0.84 MEN1 (0.38) ALDH1A1KDM4ESMN1; SMN2MAPTCYP1A2
SCHEMBL4255356 0.79 P2RY6 (0.40) ALDH1A1KDM4ESMN1; SMN2LMNACYP3A4
SCHEMBL4252489 0.78 P2RY6 (0.40) ALDH1A1KDM4ESMN1; SMN2LMNACYP1A2
SCHEMBL17259215 0.78 P2RY6 (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL17259314 0.77 MAPT (0.36) ALDH1A1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL17259290 0.77 CA1 (0.38) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL4250478 0.77 MGLL (0.47) ALDH1A1KDM4ESMN1; SMN2TRIM24TRIM33
SCHEMBL17259316 0.77 SIRT2 (0.34) ALDH1A1KDM4ESMN1; SMN2MAPTTDP1
SCHEMBL17259242 0.74 SIRT2 (0.49) ALDH1A1KDM4ELMNASIRT2SIRT1
SCHEMBL17259264 0.70 KCNH2 (0.36) SIRT2SIRT1NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493423-B2 Compounds capable of inhibiting voltage gated calcium ion channel, and pharmaceutical compositions comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-11-15 US disclosed
US-20150329533-A1 COMPOUNDS CAPABLE OF INHIBITING VOLTAGE GATED CALCIUM ION CHANNEL, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-11-19 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-20150329533-A1 COMPOUNDS CAPABLE OF INHIBITING VOLTAGE GATED CALCIUM ION CHANNEL, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CACNA1B, CACNA1F, CACNA1G ALDH1A1 3389/4885KDM4E 1513/4885SMN1; SMN2 1498/4885

“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.