SCHEMBL17833337

SCHEMBL17833337

CCC(=O)Nc1cc(C)no1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
VHL P40337 1/20 0.51
GLA P06280 1/20 0.50
ADORA2B P29275 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
PKM P14618 1/20 0.49
EPHX2 P34913 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.46
ROCK1 Q13464 1/20 0.45
HTR2C P28335 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
TSHR P16473 1/20 0.42
NAMPT P43490 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL12630133 0.88 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2VHLGLAADORA2B
SCHEMBL209226 0.84 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2VHLGLAADORA2B
SCHEMBL6431541 0.84 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2VHLGLAADORA2B
SCHEMBL2402704 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2VHLADORA2BADORA3
SCHEMBL1896996 0.81 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2VHLGLAADORA2B
SCHEMBL16848164 0.80 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2VHLGLAADORA2B
SCHEMBL21174073 0.80 NPC1 (0.61) ALDH1A1SMN1; SMN2GLAPKMEPHX2
SCHEMBL22885243 0.80 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2VHLGLAADORA2B
SCHEMBL1430802 0.79 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2VHLGLAADORA2B
SCHEMBL9893155 0.79 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2VHLPKMEPHX2

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-20170362184-A1 PRO-SURVIVAL COMPOUNDS HERIOT-WATT UNIVERSITY (GB) 2017-12-21 US disclosed
WO-2016092327-A1 PRO-SURVIVAL COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2016-06-16 WO 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-20170362184-A1 PRO-SURVIVAL COMPOUNDS MCL1, MKI67, MORF4L1 ALDH1A1 95/4885SMN1; SMN2 10/4885VHL 694/4885

“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.