SCHEMBL4330117

SCHEMBL4330117

O=[C][C@]12CC[C@H](CN1C(=O)OCc1ccccc1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
CYP2C19 P33261 1/20 0.43
HTR2C P28335 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
P2RX4 Q99571 1/20 0.38
PSEN1 P49768 2/20 0.37

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
SCHEMBL4346054 0.81 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19HTR2C
SCHEMBL24998863 0.80 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ACYP2C19HTR2C
SCHEMBL205712 0.79 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19HTR2C
SCHEMBL204641 0.76 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19HTR2C
SCHEMBL203861 0.74 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ACYP2C19HTR2C
SCHEMBL3952154 0.74 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19HTR2C
SCHEMBL10440670 0.73 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ACYP2C19HTR2C
SCHEMBL3951724 0.73 HTR2C (0.47) SMN1; SMN2NPC1RAB9ACYP2C19HTR2C
SCHEMBL206634 0.73 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19HTR2C
SCHEMBL31460212 0.72 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19HTR2C

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-20090062268-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-03-05 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-20090062268-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP11, PARP2 SMN1; SMN2 1768/4885NPC1 2840/4885RAB9A 2838/4885

“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.