SCHEMBL22493873

SCHEMBL22493873

O=C(Nc1ccc2cn(C(=O)O)cc2c1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
NAMPT P43490 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48

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 0.79 PTPN1 (0.55) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL22493885 0.77 NPC1 (0.50) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL20873106 0.75 TRPV1 (0.67) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2562031 0.75 TRPV1 (0.75) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4517770 0.75 TRPV1 (0.75) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2914329 0.74 TRPV1 (0.74) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL23657648 0.74 TRPV1 (0.78) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5539768 0.74 TRPV1 (0.78) TRPV1NPC1RAB9ASMN1; SMN2MEN1
Iodide SCHEMBL30758578 0.74 TRPV1 (0.73) TRPV1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL23234173 0.74 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 TRPV1 3936/4885NPC1 3312/4885RAB9A 1457/4885
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE TUBA1A, TUBA1C, TUBB2A TRPV1 3751/4885NPC1 3345/4885RAB9A 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.