SCHEMBL22493885

SCHEMBL22493885

CC(C)c1ccc(C(=O)Nc2ccc3cn(C(=O)O)cc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 2/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
TP53 P04637 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
RPS6KA2 Q15349 1/20 0.43
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL22493879 0.82 PTPN1 (0.55) NPC1RAB9ALMNAKDM4EMEN1
SCHEMBL7964170 0.81 RAB9A (0.73) NPC1RAB9ALMNAKDM4EMEN1
SCHEMBL23844169 0.77 LMNA (0.76) NPC1RAB9ALMNAKDM4EMEN1
SCHEMBL22493873 0.77 TRPV1 (0.57) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL23234173 0.76 RAB9A (0.48) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL22493881 0.75 KCNK3 (0.56) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL22493876 0.74 NPC1 (0.46) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL8461727 0.74 LMNA (0.68) NPC1RAB9ALMNAKDM4EMEN1
SCHEMBL26915306 0.74 LMNA (0.68) NPC1RAB9ALMNAKDM4EMEN1
SCHEMBL20873124 0.73 LMNA (0.52) NPC1RAB9ALMNAKDM4EKMT2A

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 1457/4885LMNA 3125/4885
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE TUBA1A, TUBA1C, TUBB2A NPC1 3345/4885RAB9A 1381/4885LMNA 2802/4885

“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.