SCHEMBL6141212

SCHEMBL6141212

O=[N+]([O-])c1c(F)c(F)cc(Br)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ VCP P55072 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ ATM Q13315 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ GRIN2D O15399 6/20 0.33
▸ GRIN3B O60391 6/20 0.33
▸ GRIN1 Q05586 6/20 0.33
▸ GRIN2A Q12879 6/20 0.33
▸ GRIN2B Q13224 6/20 0.33
▸ GRIN2C Q14957 6/20 0.33
▸ GRIN3A Q8TCU5 6/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ VCAM1 P19320 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ RIPK1 Q13546 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
SCHEMBL3823580 0.86 MAPT (0.36) MAPTPKMVCPMAPK1ATM
SCHEMBL17219535 0.86 MAPT (0.36) MAPTPKMVCPMAPK1ATM
SCHEMBL1994831 0.84 TDP1 (0.41) ATMTDP1ALDH1A1TSHRHIF1A
SCHEMBL1149199 0.83 MAPT (0.37) MAPTPKMVCPMAPK1ATM
SCHEMBL23580766 0.83 MAPT (0.37) MAPTPKMVCPMAPK1ATM
SCHEMBL2897221 0.82 GPR35 (0.41) MAPTPKMVCPMAPK1TDP1
SCHEMBL18298070 0.82 MAPT (0.34) MAPTPKMVCPMAPK1ATM
SCHEMBL17219091 0.82 TSHR (0.44) MAPTPKMVCPMAPK1ATM
SCHEMBL18614418 0.82 GRIN2D (0.39) MAPTPKMVCPMAPK1TDP1
SCHEMBL26921407 0.82 GRIN2D (0.47) MAPTPKMVCPMAPK1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1525183-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-04-27 — — EP disclosed
US-20040142993-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY 2004-07-22 — — US disclosed
WO-2004002940-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY (US) 2004-01-08 — — 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-20040142993-A1 Inhibitors of HCV NS5B polymerase POLRMT, POLR1E, CTDSP1 MAPT 3583/4885PKM 4388/4885VCP 1323/4885

“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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