SCHEMBL22493872

SCHEMBL22493872

O=C(Nc1ccc2cn(C(=O)O)cc2c1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
GAA P10253 3/20 0.49
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 4/20 0.48
HPGD P15428 3/20 0.48
HTT P42858 2/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
NAMPT P43490 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ABL1 P00519 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL21120732 0.75 NAMPT (0.57) MEN1KMT2AMAPTGAAGFER
SCHEMBL22493887 0.74 NPC1 (0.35) MEN1KMT2AMAPTHPGDALOX15
SCHEMBL12284611 0.74 PTPN1 (0.69) HPGDNPC1ALDH1A1KDM4EPOLB
SCHEMBL17919670 0.74 NPSR1 (0.59) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL19807212 0.71 NAMPT (0.51) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL14146999 0.71 PRMT3 (0.60) ABL1
SCHEMBL20873102 0.71 NAMPT (0.49) MEN1KMT2AMAPTGAAGFER
SCHEMBL23234173 0.70 RAB9A (0.48) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL22493879 0.70 PTPN1 (0.55) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL22493881 0.70 KCNK3 (0.56) MEN1KMT2ANPC1RAB9ACASP3

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 MEN1 2431/4885KMT2A 1808/4885MAPT 53/4885
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE TUBA1A, TUBA1C, TUBB2A MEN1 2381/4885KMT2A 1553/4885MAPT 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.