SCHEMBL178525

SCHEMBL178525

COCC(=O)Nc1cccc(C(C)C)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
CYP2C19 P33261 1/20 0.55
MAPT P10636 1/20 0.55
ALOX12 P18054 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
FADS1 O60427 1/20 0.51
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
NLRP3 Q96P20 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
FFAR1 O14842 1/20 0.50
CA2 P00918 1/20 0.49

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
SCHEMBL15215889 0.88 SMN1; SMN2 (0.57) HPGDSMN1; SMN2CYP2C19MAPTALOX12
SCHEMBL9495103 0.85 SMN1; SMN2 (0.71) HPGDSMN1; SMN2CYP2C19MAPTALOX12
SCHEMBL19016263 0.85 KDM4E (0.56) HPGDSMN1; SMN2ALDH1A1KDM4EFADS1
SCHEMBL12569855 0.83 FADS1 (0.55) HPGDSMN1; SMN2ALDH1A1KDM4EFADS1
SCHEMBL6409278 0.83 POLB (0.63) SMN1; SMN2CYP2C19MAPTMAPK1ALDH1A1
SCHEMBL4002308 0.81 SMN1; SMN2 (0.55) HPGDSMN1; SMN2MAPTMAPK1HTT
SCHEMBL13547747 0.81 FADS1 (0.54) HPGDSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11795655 0.81 SMN1; SMN2 (0.63) HPGDSMN1; SMN2CYP2C19MAPK1ALDH1A1
SCHEMBL967250 0.81 FADS1 (0.57) HPGDALDH1A1KDM4EFADS1NLRP3
SCHEMBL2091354 0.81 FADS1 (0.56) HPGDMAPK1ALDH1A1FADS1CA2

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 4581/4885CYP2C19 3701/4885

“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.