SCHEMBL21177795

SCHEMBL21177795

Cc1ncnc(Nc2c(F)cc(F)cc2[N+](=O)[O-])c1-c1ccc(F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ SLC34A1 Q06495 6/20 0.33
▸ EPAS1 Q99814 1/20 0.33
▸ EGFR P00533 4/20 0.33
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ ABCC8 Q09428 1/20 0.31
▸ KCNJ11 Q14654 1/20 0.31

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
SCHEMBL22598787 0.94 S1PR4 (0.36) ATMTDP1S1PR4LMNASLC34A1
SCHEMBL22598788 0.90 DHODH (0.38) LMNAEPAS1EGFRMAPTKMT2A
SCHEMBL22599079 0.86 ATM (0.36) ATMTDP1S1PR4LMNAJAK2
SCHEMBL22598821 0.83 EGFR (0.39) S1PR4LMNAEGFRMAPTKMT2A
SCHEMBL21187440 0.82 SLC34A1 (0.35) JAK2SLC34A1EGFRERBB2
SCHEMBL22599011 0.80 S1PR4 (0.36) ATMTDP1S1PR4LMNAEPAS1
SCHEMBL23804435 0.79 MAPT (0.42) ATMTDP1S1PR4LMNASLC34A1
SCHEMBL30211195 0.79 MAPT (0.42) ATMTDP1S1PR4LMNASLC34A1
SCHEMBL21187492 0.78 EPAS1 (0.41) ATMTDP1LMNAEPAS1MAPT
SCHEMBL22599068 0.78 ATM (0.38) ATMTDP1S1PR4LMNAEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11440900-B2 Agricultural chemicals GLOBACHEM NV (BE) 2022-09-13 — — US disclosed
EP-3740474-B1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2022-01-05 — — EP disclosed
EP-3740474-B1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2022-01-05 — — EP disclosed
EP-3740474-A1 AGRICULTURAL CHEMICALS Globachem NV (BE) 2020-11-25 — — EP disclosed
US-20200339543-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2020-10-29 — — US disclosed
US-20200339543-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2020-10-29 — — US disclosed
WO-2019141972-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 — — WO disclosed
WO-2019141972-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 — — 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 (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-20200339543-A1 AGRICULTURAL CHEMICALS ABAT, BRDT, GABBR1 ATM 1794/4885TDP1 2001/4885S1PR4 3738/4885
US-11440900-B2 Agricultural chemicals NAT1, CYP51A1, NOS1 ATM 2711/4885TDP1 1343/4885S1PR4 3829/4885

“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.

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