SCHEMBL989121

SCHEMBL989121

O=C(O)c1cc(-c2ccc(Cl)cc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 10/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
DHFR P00374 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
LMNA P02545 1/20 0.47
TTR P02766 1/20 0.47
ALB P02768 1/20 0.47
HMGB1 P09429 1/20 0.47
HPGD P15428 1/20 0.47
CXCL12 P48061 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
ACMSD Q8TDX5 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DTYMK P23919 1/20 0.47

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
SCHEMBL990659 0.90 ALDH1A1 (0.46) EIF4EALDH1A1MEN1LMNAKMT2A
SCHEMBL9354317 0.86 EIF4E (0.54) EIF4EALDH1A1DTYMKFABP4TSHR
SCHEMBL9354304 0.86 EIF4E (0.54) EIF4EALDH1A1DTYMKFABP4TSHR
SCHEMBL79163 0.84 DTYMK (0.62) ALDH1A1MEN1CA1CA2TTR
SCHEMBL6397440 0.83 DTYMK (0.60) ALDH1A1MEN1CA1CA2TTR
Hydrochloric Acid SCHEMBL1138798 0.83 DTYMK (0.60) ALDH1A1MEN1CA1CA2TTR
SCHEMBL27853734 0.82 ACMSD (0.62) EIF4EALDH1A1KDM4EMEN1USP2
SCHEMBL5384165 0.82 DTYMK (0.55) EIF4EALDH1A1MEN1TTRHPGD
SCHEMBL989123 0.81 TSHR (0.40) EIF4EALDH1A1MEN1LMNAHPGD
SCHEMBL27282451 0.81 EIF4E (0.54) EIF4EALDH1A1CA1CA2DTYMK

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-2454258-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-05-23 EP disclosed
US-20120115852-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US disclosed
US-20120115852-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US disclosed
WO-2011006569-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2011-01-20 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-20120115852-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS ENPP2, HAX1, SERPINH1 EIF4E 3123/4885ALDH1A1 4192/4885KDM4E 3238/4885

“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.