SCHEMBL785367

SCHEMBL785367

COC(=O)COc1ccc2c(c1)sc1nc(-c3ccc([N+](=O)[O-])cc3)cn12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.54
TP53 P04637 6/20 0.53
MAPT P10636 4/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
THRB P10828 3/20 0.49
PTGS2 P35354 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL785572 0.87 APP (0.58) APPTP53MAPTLMNATSHR
SCHEMBL774163 0.86 MAPT (0.70) APPTP53MAPTLMNATSHR
SCHEMBL74324 0.84 APP (0.56) APPTP53MAPTLMNATSHR
SCHEMBL770105 0.84 APP (0.56) APPTP53MAPTLMNATSHR
SCHEMBL14875120 0.84 TP53 (0.54) APPTP53MAPTLMNATSHR
SCHEMBL74225 0.83 TP53 (0.50) APPTP53MAPTLMNATSHR
SCHEMBL13198325 0.82 TP53 (0.64) APPTP53MAPTLMNATSHR
SCHEMBL73435 0.79 FLT3 (0.52) APPTP53MAPTLMNATSHR
SCHEMBL13539252 0.79 LMNA (0.53) APPTP53MAPTLMNATSHR
SCHEMBL13054387 0.78 LMNA (0.53) APPTP53MAPTLMNATSHR

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
US-8551963-B2 Imidazolothiazole compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-10-08 US disclosed
US-8551963-B2 Imidazolothiazole compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-10-08 US disclosed
US-20120070410-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-22 US disclosed
US-20120070410-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-22 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-20120070410-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF GRK2, GRK3, GRK4 APP 4143/4885TP53 905/4885MAPT 2374/4885

“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.