SCHEMBL3821486

SCHEMBL3821486

Cc1ccc([N+](=O)[O-])cc1C(N)=S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
TDP1 Q9NUW8 4/20 0.56
TSHR P16473 2/20 0.56
CYP3A4 P08684 4/20 0.56
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
GFER P55789 1/20 0.44
ALOX15 P16050 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE2A O00408 1/20 0.44
PDE5A O76074 1/20 0.44

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
SCHEMBL10967272 0.86 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL13844164 0.84 KMT2A (0.60) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL27655421 0.84 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL4437870 0.84 KMT2A (0.60) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL6896289 0.84 CYP3A4 (0.42) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL9580943 0.82 GAA (0.55) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL16957014 0.80 ALDH1A1 (0.62) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL31261574 0.80 ALDH1A1 (0.53) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL28310341 0.79 KMT2A (0.58) TSHRCYP3A4KMT2AMAPTMEN1
SCHEMBL30279828 0.79 MAPT (0.68) ALDH1A1KMT2AMAPTRAB9AHTT

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
EP-1348706-B1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-08-19 EP disclosed
US-7067537-B2 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-27 US disclosed
US-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-15 US disclosed
EP-1348706-A1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-01 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-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof CYP17A1, CYP21A2, HSD17B1 ALDH1A1 118/4885TDP1 3025/4885TSHR 1151/4885

“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.