SCHEMBL22493879

SCHEMBL22493879

O=C(Nc1ccc2cn(C(=O)O)cc2c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.55
DEGS1 O15121 1/20 0.55
TRPV1 Q8NER1 2/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
PARP1 P09874 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
NR1H4 Q96RI1 1/20 0.50
STAT3 P40763 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
PSMD14 O00487 1/20 0.49
RECQL P46063 1/20 0.49
CACNA1B Q00975 1/20 0.49

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
SCHEMBL22493885 0.82 NPC1 (0.50) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL26885202 0.79 NPC1 (0.77) PTPN1DEGS1NPC1RAB9AMEN1
SCHEMBL22493873 0.79 TRPV1 (0.57) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL26885197 0.79 PTPN1 (0.73) PTPN1DEGS1TRPV1NPC1RAB9A
SCHEMBL23234173 0.78 RAB9A (0.48) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL22493881 0.77 KCNK3 (0.56) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL22493876 0.76 NPC1 (0.46) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL26885214 0.76 DEGS1 (0.72) PTPN1DEGS1NPC1RAB9AMEN1
SCHEMBL4432783 0.75 IMPDH2 (0.65) PTPN1DEGS1NPC1RAB9AMEN1
SCHEMBL22493884 0.75 SMN1; SMN2 (0.58) PTPN1NPC1RAB9AMEN1KMT2A

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 PTPN1 4658/4885DEGS1 3919/4885TRPV1 3936/4885
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE TUBA1A, TUBA1C, TUBB2A PTPN1 4698/4885DEGS1 3831/4885TRPV1 3751/4885

“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.