SCHEMBL3276501

SCHEMBL3276501

C(=Cc1ccccn1)c1ccc2[nH]c3ccc(C=Cc4ccccn4)cc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.56
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ATM Q13315 1/20 0.53
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
KIF11 P52732 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
FGFR1 P11362 1/20 0.42
PDE2A O00408 1/20 0.41
CHEK1 O14757 1/20 0.41
GRM4 Q14833 1/20 0.40
NTRK1 P04629 2/20 0.40
NTRK3 Q16288 2/20 0.40
NTRK2 Q16620 2/20 0.40

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
SCHEMBL3276498 1.00 IP6K1 (0.56) IP6K1NPC1RAB9AKMT2AMEN1
SCHEMBL3270430 0.81 RAB9A (0.55) IP6K1NPC1RAB9AKMT2AMEN1
SCHEMBL3270434 0.81 RAB9A (0.55) IP6K1NPC1RAB9AKMT2AMEN1
SCHEMBL11250285 0.78 KIF11 (0.56) IP6K1NPC1RAB9AKMT2AMEN1
SCHEMBL11250289 0.78 KIF11 (0.56) IP6K1NPC1RAB9AKMT2AMEN1
SCHEMBL29419010 0.78 KMT2A (0.80) IP6K1NPC1RAB9AKMT2AMEN1
SCHEMBL28595722 0.78 KMT2A (0.80) IP6K1NPC1RAB9AKMT2AMEN1
SCHEMBL709077 0.76 CYP2A6 (0.50) IP6K1NPC1RAB9AKMT2AMEN1
SCHEMBL709076 0.76 CYP2A6 (0.50) IP6K1NPC1RAB9AKMT2AMEN1
SCHEMBL6478283 0.76 HDAC8 (0.44) IP6K1NPC1RAB9AKMT2AMEN1

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 5 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-6979738-B2 for human telomeres/telomerases; drug screening ACADEMIA SINICA (TW) 2005-12-27 US disclosed
US-20050249669-A1 Quadruplex stabilizer ACADEMIA SINICA 2005-11-10 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 (2 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 IP6K1 2919/4885NPC1 2484/4885RAB9A 2511/4885
US-20050249669-A1 Quadruplex stabilizer HNRNPA3, HNRNPR, ANXA3 IP6K1 3300/4885NPC1 2730/4885RAB9A 2134/4885

“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.