SCHEMBL2175865

SCHEMBL2175865

Nc1nc(-c2ccccc2)c(I)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.63
MAPT P10636 8/20 0.63
CYP1A2 P05177 3/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C19 P33261 2/20 0.63
GAA P10253 2/20 0.56
KDM4E B2RXH2 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
POLB P06746 1/20 0.50
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPK1 P28482 5/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 5/20 0.45
TDP1 Q9NUW8 4/20 0.45
MMP14 P50281 2/20 0.45

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
SCHEMBL543685 0.79 ALDH1A1 (0.68) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL234287 0.78 ALDH1A1 (1.00) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL23364659 0.77 MYC (0.57) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL7076758 0.76 ALDH1A1 (0.63) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL22650293 0.76 NTRK1 (0.51) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL5154146 0.76 ALDH1A1 (0.63) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL13198747 0.76 ALDH1A1 (0.63) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL1256622 0.76 MAPT (0.63) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL2432630 0.76 ALDH1A1 (0.63) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL330423 0.76 SMN1; SMN2 (0.64) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19

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-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 US disclosed
CN-101878211-A Aminothiazole derivs HOFFMANN LA ROCHE 2010-11-03 CN disclosed
EP-2227468-A1 AMINOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
WO-2009068467-A1 AMINOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 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-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 ALDH1A1 525/4885MAPT 1274/4885CYP1A2 2012/4885

“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.