SCHEMBL22493874

SCHEMBL22493874

O=C(Nc1ccc2cn(C(=O)O)cc2c1)c1ncco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 1/20 0.40
HDAC3 O15379 6/20 0.40
HDAC4 P56524 6/20 0.40
HDAC1 Q13547 6/20 0.40
HDAC7 Q8WUI4 6/20 0.40
HDAC2 Q92769 6/20 0.40
HDAC10 Q969S8 6/20 0.40
HDAC11 Q96DB2 6/20 0.40
HDAC8 Q9BY41 6/20 0.40
HDAC6 Q9UBN7 6/20 0.40
HDAC9 Q9UKV0 6/20 0.40
HDAC5 Q9UQL6 6/20 0.40
PABPC1 P11940 1/20 0.37
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
USP2 O75604 2/20 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
SCHEMBL22493884 0.77 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL22493888 0.76 GRM4 (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL22493892 0.75 F2R (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL22493891 0.75 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL22493871 0.75 F2R (0.48) PABPC1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL22493881 0.74 KCNK3 (0.56) RAB9ANPC1MEN1KMT2AF2
SCHEMBL20873116 0.74 NAMPT (0.45) TLK2HDAC3HDAC4HDAC1HDAC7
SCHEMBL22493876 0.73 NPC1 (0.46) PABPC1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL9779981 0.73 RAB9A (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23234173 0.73 RAB9A (0.48) PABPC1RAB9ANPC1SMN1; 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 TLK2 663/4885HDAC3 2226/4885HDAC4 2026/4885
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE TUBA1A, TUBA1C, TUBB2A TLK2 700/4885HDAC3 2206/4885HDAC4 2209/4885

“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.