SCHEMBL6487272

SCHEMBL6487272

C[n+]1ccc(/C=C/c2ccc3[nH]c4ccc(/C=C/c5cc[n+](C)cc5)cc4c3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
NPC1 O15118 5/20 0.57
USP2 O75604 4/20 0.57
GPR35 Q9HC97 1/20 0.57
GPR55 Q9Y2T6 1/20 0.57
ALDH1A1 P00352 4/20 0.53
CHAT P28329 4/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GLA P06280 1/20 0.53
ALPG P10696 2/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL6487275 1.00 RAB9A (0.57) RAB9AMEN1KMT2ANPC1USP2
Iodide SCHEMBL3271943 0.98 RAB9A (0.60) RAB9AMEN1KMT2ANPC1USP2
Iodide SCHEMBL3271941 0.98 RAB9A (0.60) RAB9AMEN1KMT2ANPC1USP2
SCHEMBL13675832 0.79 NFE2L2 (0.50) RAB9AMEN1KMT2ANPC1USP2
SCHEMBL6479706 0.79 RAB9A (0.58) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL6479707 0.79 RAB9A (0.58) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL30612471 0.78 CHAT (0.76) RAB9AMEN1KMT2ANPC1USP2
Iodide SCHEMBL3272358 0.78 RAB9A (0.61) RAB9AMEN1KMT2ANPC1USP2
Iodide SCHEMBL3272355 0.78 RAB9A (0.61) RAB9AMEN1KMT2ANPC1USP2
SCHEMBL11250289 0.77 KIF11 (0.56) RAB9AMEN1KMT2ANPC1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691624-B2 Cancer cell detecting devices ACADEMIA SINICA (TW) 2010-04-06 US disclosed
US-20070098233-A1 Cancer cell detecting devices ACADEMIA SINICA 2007-05-03 US disclosed
US-20050090671-A1 Quadruplex stabilizer ACADEMIA SINICA (TW) 2005-04-28 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-20050090671-A1 Quadruplex stabilizer HNRNPA3, HNRNPR, HNRNPC RAB9A 2511/4885MEN1 871/4885KMT2A 970/4885

“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.