SCHEMBL22493892

SCHEMBL22493892

O=C(Nc1ccc2cn(C(=O)O)cc2c1)c1cnco1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.48
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
IMPDH2 P12268 6/20 0.39
NTRK1 P04629 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
SCD5 Q86SK9 1/20 0.37

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 0.80 SMN1; SMN2 (0.58) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL23234173 0.78 RAB9A (0.48) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL22493891 0.75 RAB9A (0.67) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL22493871 0.75 F2R (0.48) F2RNPC1RAB9AALDH1A1MEN1
SCHEMBL22493874 0.75 TLK2 (0.40) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL20873100 0.74 F2R (0.47) F2RNPC1RAB9AALDH1A1KDM4E
SCHEMBL22493870 0.74 NPC1 (0.43) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL22493876 0.73 NPC1 (0.46) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL22493888 0.73 GRM4 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL18010053 0.72 F2R (0.49) F2RABCC9ABCC8KCNJ11KCNJ8

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 4563/4885ABCC9 3265/4885ABCC8 3060/4885
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE TUBA1A, TUBA1C, TUBB2A F2R 4489/4885ABCC9 3349/4885ABCC8 3120/4885

“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.