SCHEMBL16469846

SCHEMBL16469846

CCCOc1ccc([N+](=O)[O-])c(N(C)Cc2cnc(Cl)s2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TXNRD1 Q16881 2/20 0.33
MAOA P21397 2/20 0.32
BMP1 P13497 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GSR P00390 1/20 0.32
CYP19A1 P11511 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL16470209 0.92 MAPT (0.42) MAPTLMNAKDM4EMEN1PKM
SCHEMBL16470338 0.89 MAPT (0.40) MAPTLMNAKDM4EMEN1PKM
SCHEMBL16470345 0.88 MAPT (0.42) MAPTLMNAKDM4EMEN1PKM
SCHEMBL16470408 0.86 MAPT (0.39) MAPTLMNAKDM4EMEN1PKM
SCHEMBL16469760 0.86 KDM4E (0.39) MAPTLMNAKDM4EMEN1PKM
SCHEMBL16470410 0.84 MAPT (0.44) MAPTLMNAKDM4EMEN1PKM
SCHEMBL16470287 0.81 MAPT (0.41) MAPTLMNAKDM4EMEN1PKM
SCHEMBL27931536 0.81 MAPT (0.38) MAPTLMNAGAARECQLNPC1
SCHEMBL16470358 0.81 MAOA (0.39) MAPTLMNAKDM4EMEN1PKM
SCHEMBL16470635 0.80 MAPT (0.40) MAPTLMNAKDM4EMEN1PKM

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 MAPT 2642/4885LMNA 3969/4885KDM4E 1004/4885

“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.