SCHEMBL14199838

SCHEMBL14199838

Cn1ccc(-c2ccc(NC(=O)N3CCCC3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.56
NPC1 O15118 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 3/20 0.52
TGM2 P21980 1/20 0.50
CREBBP Q92793 2/20 0.48
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
BRD4 O60885 1/20 0.47
GLA P06280 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
KLK7 P49862 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
SCHEMBL28633205 0.79 KMT2A (0.55) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL4312274 0.76 RAB9A (0.55) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL14069326 0.75 TSHR (0.50) NPC1KMT2ACREBBPBRD4
SCHEMBL6037506 0.74 RAB9A (0.96) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL26674021 0.74 MAPT (0.53) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL14199841 0.74 MAPT (0.43) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL31323274 0.73 TAAR1 (0.57) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL31306170 0.73 MAPT (0.47) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL31306229 0.73 KEAP1 (0.45) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL31323277 0.73 TAAR1 (0.57) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION 2008-04-03 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-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB RAB9A 2554/4885NPC1 1498/4885SMN1; SMN2 3558/4885

“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.