SCHEMBL12366271

SCHEMBL12366271

[C-]#[N+]c1cccc(OC)c1C1=CC(C)Oc2ccc(C(=O)OC)cc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NR3C1 P04150 5/20 0.35
MAPT P10636 7/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
MCL1 Q07820 1/20 0.34
ALOX5 P09917 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL12366311 0.91 LMNA (0.38) RAB9AHTTNR3C1TSHRLMNA
SCHEMBL12366289 0.88 RAB9A (0.36) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL12366640 0.86 HTR5A (0.41)
SCHEMBL12389224 0.85 PYGL (0.41) RAB9ANPC1NR3C1MAPTMEN1
SCHEMBL12366279 0.84 MEN1 (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL12390006 0.82 ABL1 (0.37) RAB9ASMN1; SMN2NPC1ALDH1A1NR3C1
SCHEMBL12389879 0.81 MEN1 (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL12366285 0.80 PARP1 (0.37) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL12366287 0.80 PARP1 (0.37) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL12389145 0.79 MEN1 (0.37) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E RAB9A 430/4885SMN1; SMN2 3728/4885NPC1 1519/4885

“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.