SCHEMBL7353075

SCHEMBL7353075

CNc1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 4/20 0.66
PSMB5 P28074 4/20 0.66
PSMB2 P49721 3/20 0.66
LTA4H P09960 13/20 0.63
KDM4E B2RXH2 1/20 0.62
HRH3 Q9Y5N1 2/20 0.59
PTGS2 P35354 2/20 0.58

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
SCHEMBL23742244 0.98 PSMB1 (0.69) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL21102893 0.89 LTA4H (0.64) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL113405 0.86 LTA4H (0.63) LTA4HKDM4EHRH3
SCHEMBL4167205 0.84 PSMB1 (0.60) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL11876046 0.83 LTA4H (0.71) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL11880228 0.81 KDM4E (0.70) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL11881017 0.81 LTA4H (0.69) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL8337754 0.81 HRH3 (0.70) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL19145673 0.81 LTA4H (0.59) PSMB1PSMB5PSMB2LTA4HKDM4E
SCHEMBL11877770 0.81 HRH3 (0.83) PSMB1PSMB5LTA4HHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021156636-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2021-08-12 WO disclosed
US-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-18 US disclosed
US-6133262-A 3-AMINOBENZO(B)THIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-10-17 US disclosed
EP-0997460-A1 Benzothiophene compounds as antithrombotic agents and intermediates ELI LILLY AND COMPANY (US) 2000-05-03 EP 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 (1 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-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES NR4A1, NR4A3, NR0B1 PSMB1 3159/4885PSMB5 1858/4885PSMB2 3581/4885

“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.