SCHEMBL22493884

SCHEMBL22493884

O=C(Nc1ccc2cn(C(=O)O)cc2c1)c1ccco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.58
ALDH1A1 P00352 6/20 0.58
TP53 P04637 5/20 0.58
HPGD P15428 3/20 0.58
KDM4E B2RXH2 3/20 0.58
HSD17B10 Q99714 1/20 0.58
RAB9A P51151 14/20 0.56
NPC1 O15118 10/20 0.56
PKM P14618 2/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
PTPN6 P29350 1/20 0.55
PTPN11 Q06124 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.55

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
SCHEMBL6669056 0.80 SMN1; SMN2 (0.75) SMN1; SMN2ALDH1A1TP53HPGDKDM4E
SCHEMBL22493892 0.80 F2R (0.48) SMN1; SMN2ALDH1A1TP53HPGDKDM4E
SCHEMBL22493874 0.77 TLK2 (0.40) SMN1; SMN2ALDH1A1TP53KDM4EHSD17B10
SCHEMBL22493881 0.76 KCNK3 (0.56) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL23011774 0.75 ALDH1A1 (0.84) SMN1; SMN2ALDH1A1RAB9ANPC1CASP3
SCHEMBL22493879 0.75 PTPN1 (0.55) SMN1; SMN2KDM4ERAB9ANPC1PTPN1
SCHEMBL7743467 0.74 RAB9A (0.75) SMN1; SMN2ALDH1A1TP53KDM4ERAB9A
SCHEMBL20353548 0.74 LMNA (0.63) SMN1; SMN2ALDH1A1TP53HPGDKDM4E
SCHEMBL3482802 0.74 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TP53HPGDKDM4E
SCHEMBL3483011 0.74 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TP53HPGDKDM4E

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 SMN1; SMN2 2824/4885ALDH1A1 2428/4885TP53 251/4885
US-20200317696-A1 ULTRA-POTENT VINA ALKALOIDS: ADDED MOLECULAR COMPLEXITY FURTHER DISRUPTS THE TUBLIN DIMER-DIMER INTERFACE TUBA1A, TUBA1C, TUBB2A SMN1; SMN2 2867/4885ALDH1A1 2627/4885TP53 246/4885

“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.