SCHEMBL4908073

SCHEMBL4908073

COC(=O)CN1C(=O)[C@@H](N)[C@@H](c2ccccc2)Oc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.45
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3349518 0.86 ALDH1A1 (0.49) TSHRALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL5242540 0.81 MME (0.47) TSHRALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL5242531 0.81 MME (0.47) TSHRALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL4905957 0.79 TSHR (0.44) TSHRALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL4905986 0.79 TSHR (0.44) TSHRALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL4905938 0.77 NPC1 (0.47) TSHRALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL4905921 0.77 NPC1 (0.47) TSHRALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL4968655 0.77 MEN1 (0.57) TSHRALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL3406444 0.75 F10 (0.41) TSHRALDH1A1L3MBTL1LMNA
SCHEMBL3347335 0.75 F10 (0.41) TSHRALDH1A1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1831187-A1 NOVEL MOLECULAR PROBES AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065218-A1 NOVEL MOLECULAR PROBES ASTRAZENECA AB (SE) 2006-06-22 WO 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-20080311609-A1 Novel Molecular Probes BACE1, BACE2, PSEN1 TSHR 4617/4885ALDH1A1 1417/4885L3MBTL1 3545/4885

“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.