SCHEMBL770105

SCHEMBL770105

O=[N+]([O-])c1ccc(-c2cn3c(n2)sc2cc(OCCCl)ccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.56
TP53 P04637 6/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RXFP1 Q9HBX9 1/20 0.45
FLT3 P36888 5/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
BMPR1B O00238 1/20 0.42
MUSK O15146 1/20 0.42
EPHB6 O15197 1/20 0.42
MAP3K7 O43318 1/20 0.42
RIPK2 O43353 1/20 0.42

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
SCHEMBL74324 0.96 APP (0.56) APPTP53MAPTLMNASMN1; SMN2
SCHEMBL774163 0.85 MAPT (0.70) APPTP53MAPTLMNASMN1; SMN2
SCHEMBL769325 0.85 APP (0.61) APPTP53MAPTLMNASMN1; SMN2
SCHEMBL73428 0.84 FLT3 (0.62) APPSMN1; SMN2RAB9AFLT3KDM4E
SCHEMBL785367 0.84 APP (0.54) APPTP53MAPTLMNASMN1; SMN2
SCHEMBL14875120 0.82 TP53 (0.54) APPTP53MAPTLMNASMN1; SMN2
SCHEMBL13198325 0.81 TP53 (0.64) APPTP53MAPTLMNASMN1; SMN2
SCHEMBL75113 0.81 FLT3 (0.63) APPTP53MAPTSMN1; SMN2FLT3
SCHEMBL13539252 0.79 LMNA (0.53) APPTP53MAPTLMNASMN1; SMN2
SCHEMBL73435 0.79 FLT3 (0.52) APPTP53MAPTLMNASMN1; SMN2

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 9 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-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
US-20120070410-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-22 US disclosed
EP-2358725-A1 Imidazolothiazole compounds as modulators of protein kinase Ambit Biosciences Corporation (US) 2011-08-24 EP disclosed
WO-2010054058-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AS MODULATORS OF PROTEIN KINASE AMBIT BIOSCIENCE CORPORATION (US) 2010-05-14 WO disclosed
WO-2010054058-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AS MODULATORS OF PROTEIN KINASE AMBIT BIOSCIENCE CORPORATION (US) 2010-05-14 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-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.