SCHEMBL2431471

SCHEMBL2431471

CCSc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
HIF1A Q16665 1/20 0.47
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
MAPT P10636 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 3/20 0.43
PKM P14618 1/20 0.43
PDE7A Q13946 4/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
S1PR4 O95977 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4B Q07343 1/20 0.40

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
SCHEMBL14976729 0.83 ALDH1A1 (0.49) ALDH1A1HIF1ATXNRD1TXNRD3TXNRD2
SCHEMBL16676192 0.81 ALDH1A1 (0.56) ALDH1A1TXNRD1TXNRD3TXNRD2MAPT
SCHEMBL8973769 0.81 TXNRD1 (0.66) ALDH1A1HIF1ATXNRD1TXNRD3TXNRD2
SCHEMBL31453603 0.81 ALDH1A1 (0.52) ALDH1A1HIF1ATXNRD1TXNRD3TXNRD2
SCHEMBL1114984 0.81 ALDH1A1 (0.52) ALDH1A1HIF1ATXNRD1TXNRD3TXNRD2
SCHEMBL3712418 0.81 CA2 (0.56) ALDH1A1HIF1ATXNRD1TXNRD3TXNRD2
SCHEMBL31011656 0.80 ALDH1A1 (0.55) ALDH1A1HIF1ATXNRD1TXNRD3TXNRD2
SCHEMBL20494498 0.80 ALDH1A1 (0.55) ALDH1A1HIF1ATXNRD1TXNRD3TXNRD2
SCHEMBL31217501 0.80 TXNRD1 (0.63) ALDH1A1HIF1ATXNRD1TXNRD3TXNRD2
SCHEMBL14977083 0.80 ALDH1A1 (0.44) ALDH1A1HIF1ATXNRD1TXNRD3TXNRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2377863-A1 Piperidine GPCR agonists Prosidion Limited (GB) 2011-10-19 EP disclosed
EP-2114933-B1 PIPERIDINE GPCR AGONISTS PROSIDION LTD (GB) 2011-09-07 EP disclosed
US-20100048632-A1 Piperidine GPCR Agonists PROSIDION LIMITED (GB) 2010-02-25 US disclosed
EP-2114933-A1 PIPERIDINE GPCR AGONISTS Prosidion Limited (GB) 2009-11-11 EP disclosed
WO-2008081204-A1 PIPERIDINE GPCR AGONISTS PROSIDION LIMITED (GB) 2008-07-10 WO disclosed
US-20070208032-A1 Chemical compounds ASTRAZENECA AB 2007-09-06 US disclosed
US-20070208032-A1 Chemical compounds ASTRAZENECA AB 2007-09-06 US 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 (2 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-20100048632-A1 Piperidine GPCR Agonists GPR119, GPR27, GLP1R ALDH1A1 768/4885HIF1A 948/4885TXNRD1 2038/4885
US-20070208032-A1 Chemical compounds PDHA1, ALDH5A1, PDHA2 ALDH1A1 25/4885HIF1A 1180/4885TXNRD1 1887/4885

“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.