SCHEMBL105378

SCHEMBL105378

CC(C)c1ccc(NC(=O)[C@@H](N)CO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.57
KIF11 P52732 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
AAK1 Q2M2I8 1/20 0.48
RAB9A P51151 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CIT O14578 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL6287897 0.86 SPHK1 (0.56) SPHK1CA12CA1CA2CA9
SCHEMBL27617142 0.84 S1PR1 (0.56) KIF11CRHBPCRHR2HPGDSMN1; SMN2
SCHEMBL27598558 0.84 S1PR1 (0.56) KIF11CRHBPCRHR2HPGDSMN1; SMN2
SCHEMBL10431761 0.83 SPHK1 (0.56) SPHK1HPGDLMNACA12CA1
SCHEMBL12997448 0.83 SPHK1 (0.60) SPHK1KIF11RAB9ACITMAPT
SCHEMBL26437138 0.82 TAAR1 (0.64) KIF11CRHBPCRHR2HPGDSMN1; SMN2
SCHEMBL103862 0.82 KMT2A (0.61) KIF11CRHBPCRHR2HPGDSMN1; SMN2
SCHEMBL14467304 0.82 FNTA (0.53) SPHK1KIF11AAK1CITTAAR1
SCHEMBL178381 0.81 FADS1 (0.53) SPHK1CRHBPCRHR2SMN1; SMN2LMNA
SCHEMBL20715657 0.81 SPHK1 (0.62) SPHK1CRHBPCRHR2SMN1; SMN2CA12

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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
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 SPHK1 3518/4885KIF11 2454/4885CRHBP 3072/4885

“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.