SCHEMBL740933

SCHEMBL740933

COCCCNc1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.46
LMNA P02545 3/20 0.44
MERTK Q12866 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALPG P10696 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GSR P00390 1/20 0.43
TXNRD1 Q16881 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
STK17A Q9UEE5 1/20 0.41
FGFR4 P22455 1/20 0.41
RPS6KB2 Q9UBS0 1/20 0.41

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
SCHEMBL8246245 0.92 MAPT (0.59) MAPTALDH1A1HTTLMNAMERTK
SCHEMBL741498 0.84 TXNRD1 (0.48) MAPTALDH1A1LMNAGSRTXNRD1
SCHEMBL9041749 0.84 MAPT (0.59) MAPTALDH1A1HTTLMNAMERTK
SCHEMBL11653146 0.83 MAPT (0.58) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL3815680 0.82 MAPT (0.55) MAPTALDH1A1HTTLMNAMERTK
SCHEMBL12210149 0.82 MAPT (0.56) MAPTALDH1A1HTTLMNAMERTK
SCHEMBL28307336 0.81 KDM4E (0.42) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL5299841 0.81 MAPT (0.55) MAPTHTTLMNAMERTKALPG
SCHEMBL5155732 0.81 L3MBTL1 (0.53) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL17483844 0.79 MAPT (0.63) MAPTALDH1A1HTTMERTKMEN1

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-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases PHARMACOPEIA, INC. (US) 2008-06-19 US disclosed
US-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases PHARMACOPEIA, INC. (US) 2008-06-19 US disclosed
US-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases PHARMACOPEIA, INC. (US) 2008-06-19 US disclosed
WO-2007022305-A2 2-AMINOIMIDAZOPYRIDINES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-02-22 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-20080146536-A1 2-Aminoimidazopyridines for treating neurodegenerative diseases ADORA2A, ADORA1, ADORA3 MAPT 309/4885ALDH1A1 885/4885HTT 139/4885

“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.