SCHEMBL22493871

SCHEMBL22493871

O=C(Nc1ccc2cn(C(=O)O)cc2c1)c1cocn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.48
BACE1 P56817 3/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
NTRK1 P04629 1/20 0.38
KDR P35968 2/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
KDM4E B2RXH2 3/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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 0.79 GRM4 (0.58) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL22493891 0.78 RAB9A (0.67) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL22493881 0.77 KCNK3 (0.56) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL22493892 0.75 F2R (0.48) F2RRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL22493875 0.75 AHR (0.55) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL22493874 0.75 TLK2 (0.40) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL22493870 0.74 NPC1 (0.43) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL20873103 0.74 F2R (0.47) F2RBACE1RAB9ANPC1MAPT
SCHEMBL893100 0.73 F2R (0.64) F2RRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL23234173 0.73 RAB9A (0.48) RAB9ANPC1MAPTSMN1; SMN2MEN1

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 F2R 4563/4885BACE1 2616/4885RAB9A 1457/4885
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE TUBA1A, TUBA1C, TUBB2A F2R 4489/4885BACE1 2378/4885RAB9A 1381/4885

“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.