SCHEMBL3834075

SCHEMBL3834075

O=C(O)CN1CCN(Cc2ccccc2)C[C@@H]1COCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
AGTR2 P50052 1/20 0.43

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
SCHEMBL8478967 0.91 TACR1 (0.40) ALDH1A1AGTR2
SCHEMBL7573297 0.87 SIGMAR1 (0.56) SIGMAR1ALDH1A1LMNA
SCHEMBL13567995 0.87 L3MBTL1 (0.46) SIGMAR1ALDH1A1LMNA
SCHEMBL3916786 0.84 AGTR2 (0.43) LMNAAGTR2
SCHEMBL3829097 0.84 SIGMAR1 (0.51) SIGMAR1LMNA
SCHEMBL7265773 0.83 EGFR (0.45) SIGMAR1ALDH1A1
SCHEMBL9024007 0.78 NR1D1 (0.39) AGTR2
SCHEMBL3827793 0.78 MC4R (0.47) SIGMAR1ALDH1A1LMNA
SCHEMBL8571007 0.76 PARP1 (0.49) SIGMAR1AGTR2
SCHEMBL8571009 0.76 PARP1 (0.49) SIGMAR1AGTR2

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-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 SIGMAR1 4489/4885ALDH1A1 1990/4885LMNA 4024/4885

“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.