SCHEMBL21175007

SCHEMBL21175007

O=C(NC1CCCCCC1)c1cc(=O)c2ccccc2o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.68
RAB9A P51151 4/20 0.67
NPC1 O15118 4/20 0.67
ALDH1A1 P00352 3/20 0.67
KDM4E B2RXH2 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
NR1I2 O75469 1/20 0.67
HPGD P15428 1/20 0.67
AHR P35869 1/20 0.67
HTT P42858 1/20 0.67
KCNH2 Q12809 2/20 0.59
MCHR1 Q99705 2/20 0.59
LMNA P02545 1/20 0.56
USP2 O75604 1/20 0.55
CSNK2A2 P19784 1/20 0.55
PTGS1 P23219 1/20 0.55
CSNK2B P67870 1/20 0.55
CSNK2A1 P68400 1/20 0.55
CSNK2A3 Q8NEV1 1/20 0.55
ACHE P22303 1/20 0.54

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
SCHEMBL21174992 1.00 MAOB (0.68) MAOBRAB9ANPC1ALDH1A1KDM4E
SCHEMBL23575897 0.88 MAOB (0.67) MAOBRAB9ANPC1ALDH1A1KDM4E
SCHEMBL19710172 0.88 MAOB (0.67) MAOBRAB9ANPC1ALDH1A1KDM4E
SCHEMBL23575943 0.84 MAOB (0.65) MAOBRAB9ANPC1ALDH1A1KDM4E
SCHEMBL19710362 0.84 MAOB (0.65) MAOBRAB9ANPC1ALDH1A1KDM4E
SCHEMBL19743761 0.82 METTL3 (0.65) MAOBKDM4ESMN1; SMN2HTTLMNA
SCHEMBL29986215 0.82 METTL3 (0.65) MAOBKDM4ESMN1; SMN2HTTLMNA
SCHEMBL28997464 0.82 ACHE (0.72) MAOBSMN1; SMN2LMNAACHEMAOA
SCHEMBL21174951 0.81 LMNA (0.66) MAOBKDM4ESMN1; SMN2HTTLMNA
SCHEMBL21174991 0.80 ACHE (0.74) MAOBSMN1; SMN2LMNAACHEMAOA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11485720-B2 Anti-infective agents UNIVERSITY OF DUNDEE (GB) 2022-11-01 US disclosed
EP-3472141-B1 ANTI-INFECTIVE AGENTS UNIV DUNDEE (GB) 2022-10-05 EP disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 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 (3 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-11485720-B2 Anti-infective agents C1R, RRS1, ARG1 MAOB 2696/4885RAB9A 553/4885NPC1 2002/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 MAOB 2696/4885RAB9A 553/4885NPC1 2002/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 MAOB 2283/4885RAB9A 521/4885NPC1 1924/4885

“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.