SCHEMBL5981533

SCHEMBL5981533

COc1ccc(F)c(CC(N=C(c2ccccc2)c2ccccc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.56
CTSD P07339 2/20 0.38
MTNR1B P49286 1/20 0.38
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PTPN1 P18031 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL18482287 0.92 AAK1 (0.56) AAK1CTSDEPHX2ALDH1A1LMNA
SCHEMBL25319741 0.86 AAK1 (0.65) AAK1ALDH1A1LMNAPTPN1ITGA4
SCHEMBL5981368 0.84 AAK1 (0.51) AAK1PTPN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL18511387 0.83 AAK1 (0.61) AAK1CTSDPTPN1ITGA4ITGB7
SCHEMBL25318130 0.82 AAK1 (0.60) AAK1ALDH1A1ITGA4ITGB7
SCHEMBL3750184 0.81 AAK1 (0.58) AAK1CTSDALDH1A1PTPN1ITGA4
SCHEMBL3750181 0.81 AAK1 (0.58) AAK1CTSDALDH1A1PTPN1ITGA4
SCHEMBL21029344 0.81 AAK1 (0.58) AAK1CTSDPTPN1ITGA4ITGB7
SCHEMBL30397375 0.81 AAK1 (0.58) AAK1CTSDPTPN1ITGA4ITGB7
SCHEMBL28961254 0.81 AAK1 (0.58) AAK1CTSDPTPN1ITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115766-B2 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORP. (US) 2006-10-03 US disclosed
US-20040034246-A1 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-19 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 (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-20040034246-A1 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds SNCA, PARK7, SAMHD1 AAK1 3662/4885CTSD 371/4885MTNR1B 1881/4885

“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.