SCHEMBL22493887

SCHEMBL22493887

CNc1ccc2cn(C(=O)O)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
MAPT P10636 4/20 0.35
EGFR P00533 2/20 0.34
PIM3 Q86V86 1/20 0.34
PTGER1 P34995 1/20 0.33
HTR6 P50406 1/20 0.33
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HIF1A Q16665 2/20 0.33
CYP1A2 P05177 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL17039402 0.75 EGFR (0.39) NPC1MAPTEGFRHTR6KDM4E
SCHEMBL22493872 0.74 MEN1 (0.49) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL22636557 0.73 MEN1 (0.43) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL15880543 0.73 KDM4E (0.58) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL22493885 0.73 NPC1 (0.50) NPC1RAB9AMAPTEGFRKDM4E
SCHEMBL2144734 0.72 MCL1 (0.42) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL22493879 0.71 PTPN1 (0.55) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL22493889 0.71 SLC16A3 (0.42) NPC1RAB9AMAPTEGFRHTR6
SCHEMBL8156941 0.71 EGFR (0.48) NPC1MAPTEGFRHTR6KDM4E
SCHEMBL22493881 0.70 KCNK3 (0.56) NPC1RAB9AMEN1KMT2ACASP3

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 NPC1 3312/4885RAB9A 1457/4885MAPT 53/4885
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE TUBA1A, TUBA1C, TUBB2A NPC1 3345/4885RAB9A 1381/4885MAPT 51/4885

“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.