SCHEMBL16469877

SCHEMBL16469877

CCCN(Cc1cnc(Cl)s1)c1nc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 13/20 0.41
MAPT P10636 3/20 0.40
GSR P00390 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
JAK2 O60674 1/20 0.39
S1PR4 O95977 1/20 0.39
HSP90AA1 P07900 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL16470635 0.92 MAPT (0.40) TXNRD1MAPTGSRKDM4EMEN1
SCHEMBL16469705 0.92 TXNRD1 (0.43) TXNRD1MAPTGSRKDM4EMEN1
SCHEMBL29371318 0.92 TXNRD1 (0.43) TXNRD1MAPTGSRKDM4EMEN1
SCHEMBL28454828 0.91 POLB (0.41) TXNRD1MAPTGSRKDM4EMEN1
SCHEMBL28463013 0.89 TXNRD1 (0.44) TXNRD1MAPTGSRKDM4EMEN1
SCHEMBL28448816 0.85 TXNRD1 (0.39) TXNRD1MAPTGSRKDM4EMEN1
SCHEMBL16470345 0.85 MAPT (0.42) TXNRD1MAPTGSRKDM4EMEN1
SCHEMBL16470338 0.84 MAPT (0.40) TXNRD1MAPTGSRKDM4EMEN1
SCHEMBL16469751 0.83 MAPT (0.41) TXNRD1MAPTKDM4EMEN1LMNA
SCHEMBL14444940 0.82 TXNRD1 (0.55) TXNRD1MAPTGSRJAK2S1PR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9386769-B2 Thiazole methylamino pyridine compounds and preparation method therefor HUNAN RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2016-07-12 US claimed
US-20150051402-A1 Thiazole Methylamino Pyridine Compounds and Preparation Method Therefor HUNAN RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2015-02-19 US claimed

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-20150051402-A1 Thiazole Methylamino Pyridine Compounds and Preparation Method Therefor NOTUM, WEE1, CYP51A1 TXNRD1 1289/4885MAPT 2642/4885GSR 157/4885

“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.