SCHEMBL22493889

SCHEMBL22493889

CN(C)c1ccc2cn(C(=O)O)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.42
TERT O14746 1/20 0.41
APP P05067 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 2/20 0.38
HTR6 P50406 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NSD2 O96028 1/20 0.36
POLB P06746 1/20 0.35
PSMB5 P28074 1/20 0.35
KDM2B Q8NHM5 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL22636557 0.73 MEN1 (0.43) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL15880543 0.73 KDM4E (0.58) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL2144734 0.72 MCL1 (0.42) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL22493887 0.71 NPC1 (0.35) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL12566471 0.71 TERT (0.64) SLC16A3TERTAPPALDH1A1KDM4E
SCHEMBL29717125 0.70 KDM4E (0.55) SLC16A3TERTAPPALDH1A1KDM4E
SCHEMBL2701032 0.70 KDM4E (0.55) SLC16A3TERTAPPALDH1A1KDM4E
SCHEMBL2075524 0.69 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL18288087 0.69 NPC1 (0.51) SLC16A3TERTAPPALDH1A1KDM4E
SCHEMBL566588 0.68 F2 (0.44) ALDH1A1KDM4EHPGDMAPTMEN1

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
EP-3464289-B1 ULTRA-POTENT VINCA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBULIN DIMER-DIMER INTERFACE SCRIPPS RESEARCH INST (US) 2021-04-21 EP disclosed
US-10975101-B2 Ultra-potent vinca alkaloids: added molecular complexity further disrupts the tublin dimer-dimer interface THE SCRIPPS RESEARCH INSTITUTE (US) 2021-04-13 US disclosed
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE NATIONAL INSTITUTES OF HEALTH 2020-10-08 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-10975101-B2 Ultra-potent vinca alkaloids: added molecular complexity further disrupts the tublin dimer-dimer interface TUBA1C, TUBB2A, TUBA1A SLC16A3 4511/4885TERT 2424/4885APP 3199/4885
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE TUBA1A, TUBA1C, TUBB2A SLC16A3 4571/4885TERT 2654/4885APP 3091/4885

“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.