SCHEMBL104793

SCHEMBL104793

CCCCNC(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.70
SMN1; SMN2 Q16637 4/20 0.67
RAB9A P51151 4/20 0.67
NPC1 O15118 3/20 0.67
LMNA P02545 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.59
NAAA Q02083 2/20 0.57
EPHX1 P07099 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MLYCD O95822 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
MAPT P10636 1/20 0.53
HDAC3 O15379 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
CA2 P00918 1/20 0.52
MCL1 Q07820 1/20 0.52

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
SCHEMBL13577935 0.95 HPGD (0.68) HPGDSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL7538215 0.94 L3MBTL1 (0.69) HPGDSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL17132595 0.90 HPGD (0.65) HPGDSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL28326194 0.88 L3MBTL1 (0.73) SMN1; SMN2RAB9ANPC1L3MBTL1NAAA
SCHEMBL12920005 0.87 HPGD (0.75) HPGDSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL24904337 0.85 HPGD (0.68) HPGDSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL18232447 0.85 HPGD (0.68) HPGDSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL18232444 0.85 HPGD (0.68) HPGDSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL14020489 0.84 ALDH1A1 (0.78) HPGDSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL16789651 0.84 HPGD (0.67) HPGDSMN1; SMN2RAB9ANPC1LMNA

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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 HPGD 4110/4885SMN1; SMN2 4581/4885RAB9A 3030/4885

“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.