SCHEMBL3270896

SCHEMBL3270896

C(=C/c1ccc2[nH]c3ccc(/C=C/c4ccncc4)cc3c2c1)\c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.50
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 4/20 0.46
GFER P55789 1/20 0.46
KIF11 P52732 1/20 0.44
RAB9A P51151 3/20 0.44
CYP1A2 P05177 2/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
HBB P68871 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL3270902 1.00 IP6K1 (0.50) IP6K1MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL11250289 0.80 KIF11 (0.56) IP6K1MAPTNPC1KIF11RAB9A
SCHEMBL11250285 0.80 KIF11 (0.56) IP6K1MAPTNPC1KIF11RAB9A
SCHEMBL13675832 0.78 NFE2L2 (0.50) MAPTSMN1; SMN2ALDH1A1NPC1KIF11
SCHEMBL3270434 0.76 RAB9A (0.55) IP6K1NPC1KIF11RAB9AMEN1
SCHEMBL3270430 0.76 RAB9A (0.55) IP6K1NPC1KIF11RAB9AMEN1
SCHEMBL135604 0.76 MAPT (0.65) IP6K1MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL9966009 0.76 MAPT (0.65) IP6K1MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL28217117 0.76 KIF11 (0.66) IP6K1MAPTSMN1; SMN2HPGDALDH1A1
SCHEMBL3276498 0.75 IP6K1 (0.56) IP6K1MAPTALDH1A1NPC1KIF11

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 9 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-7691624-B2 Cancer cell detecting devices ACADEMIA SINICA (TW) 2010-04-06 US disclosed
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-20070098233-A1 Cancer cell detecting devices ACADEMIA SINICA 2007-05-03 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 2919/4885MAPT 3382/4885SMN1; SMN2 713/4885
US-20050249669-A1 Quadruplex stabilizer HNRNPA3, HNRNPR, ANXA3 IP6K1 3300/4885MAPT 2964/4885SMN1; SMN2 1048/4885

“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.