SCHEMBL22493891

SCHEMBL22493891

O=C(Nc1ccc2cn(C(=O)O)cc2c1)c1cnccn1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.67
NPC1 O15118 11/20 0.67
SMN1; SMN2 Q16637 7/20 0.67
MAPT P10636 4/20 0.67
KMT2A Q03164 3/20 0.67
TP53 P04637 3/20 0.67
MEN1 O00255 2/20 0.67
USP2 O75604 1/20 0.67
HTT P42858 1/20 0.54
MAOB P27338 2/20 0.53
POLB P06746 3/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL22493888 0.84 GRM4 (0.58) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL22493870 0.81 NPC1 (0.43) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL23234173 0.78 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL22493871 0.78 F2R (0.48) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL22493875 0.78 AHR (0.55) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL22493876 0.76 NPC1 (0.46) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL22493892 0.75 F2R (0.48) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL22493874 0.75 TLK2 (0.40) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL11903751 0.74 KMT2A (0.70) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL20873105 0.74 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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 RAB9A 1457/4885NPC1 3312/4885SMN1; SMN2 2824/4885
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE TUBA1A, TUBA1C, TUBB2A RAB9A 1381/4885NPC1 3345/4885SMN1; SMN2 2867/4885

“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.