SCHEMBL72901

SCHEMBL72901

CC(C(=O)O)c1ccc2c(c1)sc1nc(-c3ccc([N+](=O)[O-])cc3)cn12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
LMNA P02545 7/20 0.47
TP53 P04637 3/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RXFP1 Q9HBX9 1/20 0.44
APP P05067 1/20 0.44
F2RL3 Q96RI0 1/20 0.43
MBD2 Q9UBB5 1/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL72902 0.93 AKR1C3 (0.47) AKR1C3AKR1C2LMNATP53MAPT
SCHEMBL73435 0.83 FLT3 (0.52) LMNATP53MAPTRAB9ASMN1; SMN2
SCHEMBL13539252 0.83 LMNA (0.53) LMNATP53MAPTRAB9ASMN1; SMN2
SCHEMBL29056678 0.81 LMNA (0.49) LMNATP53MAPTRAB9ASMN1; SMN2
SCHEMBL29924814 0.81 LMNA (0.49) LMNATP53MAPTRAB9ASMN1; SMN2
SCHEMBL28419499 0.81 FLT3 (0.47) LMNATP53MAPTRAB9ASMN1; SMN2
SCHEMBL74473 0.80 TP53 (0.46) LMNATP53MAPTRAB9ASMN1; SMN2
SCHEMBL774163 0.80 MAPT (0.70) LMNATP53MAPTRAB9ASMN1; SMN2
SCHEMBL13054387 0.80 LMNA (0.53) LMNATP53MAPTRAB9ASMN1; SMN2
Bromide SCHEMBL3863593 0.80 LMNA (0.55) LMNATP53MAPTRAB9ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921546-B2 Imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCES CORPORATION (US) 2014-12-30 US disclosed
US-20140243525-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION (US) 2014-08-28 US disclosed
US-8557810-B2 Imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCES CORPORATION (US) 2013-10-15 US disclosed
US-20120129850-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION 2012-05-24 US disclosed
US-8129374-B2 Method of using imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCE CORPORATION (US) 2012-03-06 US disclosed
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 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 (3 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-20140243525-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 AKR1C3 3172/4885AKR1C2 2996/4885LMNA 3036/4885
US-20120129850-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 AKR1C3 3172/4885AKR1C2 2996/4885LMNA 3036/4885
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors GRK2, GRK3, BLK AKR1C3 3419/4885AKR1C2 3028/4885LMNA 1744/4885

“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.