SCHEMBL22493880

SCHEMBL22493880

O=C(Nc1ccc2c(c1)CN(C(=O)O)C2)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 2/20 0.57
PARP1 P09874 1/20 0.54
NAMPT P43490 2/20 0.54
PTPN1 P18031 3/20 0.54
MCHR1 Q99705 3/20 0.54
DEGS1 O15121 1/20 0.54
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
NFKB1 P19838 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ACHE P22303 1/20 0.53
HSD17B3 P37058 1/20 0.52
L3MBTL3 Q96JM7 1/20 0.52
CREBBP Q92793 1/20 0.52

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
SCHEMBL22493893 0.83 LMNA (0.59) TMPRSS2NAMPTNPC1TP53GAA
SCHEMBL20873124 0.82 LMNA (0.52) TMPRSS2NAMPTNPC1TP53RAB9A
SCHEMBL4795400 0.81 HSD17B3 (0.67) TMPRSS2NAMPTNPC1TP53GAA
SCHEMBL6293599 0.81 ROCK2 (0.63) TMPRSS2MCHR1NPC1TP53GAA
SCHEMBL20078361 0.80 RAB9A (0.83) PTPN1MCHR1DEGS1NPC1TP53
SCHEMBL20873106 0.79 TRPV1 (0.67) TMPRSS2NAMPTNPC1HTTRAB9A
SCHEMBL20873129 0.79 TMPRSS2 (0.48) TMPRSS2NAMPTNPC1TP53GAA
SCHEMBL22493890 0.79 RAB9A (0.62) NPC1TP53HTTRAB9ASMN1; SMN2
SCHEMBL20873126 0.78 KCNK3 (0.54) TMPRSS2NAMPTNPC1TP53GAA
SCHEMBL20873115 0.78 NPC1 (0.59) NAMPTNPC1HTTRAB9ASMN1; SMN2

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 TMPRSS2 3789/4885PARP1 1416/4885NAMPT 3573/4885
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE TUBA1A, TUBA1C, TUBB2A TMPRSS2 3827/4885PARP1 1476/4885NAMPT 3614/4885

“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.