SCHEMBL10059142

SCHEMBL10059142

O=[N+]([O-])c1ccc(OCCCO)cc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 4/20 0.48
RAPGEF3 O95398 1/20 0.45
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
PTGES O14684 2/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPK1 P28482 1/20 0.38

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
SCHEMBL8956145 0.94 MAPT (0.47) ATMTDP1MAPTRAPGEF3ALDH1A1
SCHEMBL2338671 0.92 TDP1 (0.50) ATMTDP1MAPTRAPGEF3ALDH1A1
SCHEMBL12210768 0.86 MAPT (0.60) ATMTDP1MAPTRAPGEF3ALDH1A1
SCHEMBL9275306 0.86 MAPT (0.51) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL4014456 0.83 MAPT (0.68) ATMTDP1MAPTRAPGEF3ALDH1A1
SCHEMBL8778509 0.82 MAPT (0.47) ATMTDP1MAPTRAPGEF3ALDH1A1
SCHEMBL15923825 0.82 MAPT (0.56) ATMTDP1MAPTALDH1A1LMNA
SCHEMBL20982641 0.82 MAPT (0.71) TDP1MAPTALDH1A1LMNAKDM4E
SCHEMBL26086348 0.82 MAPT (0.51) ATMTDP1MAPTRAPGEF3ALDH1A1
SCHEMBL21460712 0.81 SIRT5 (0.47) ATMTDP1MAPTRAPGEF3ALDH1A1

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
US-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 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 (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-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L ATM 4810/4885TDP1 1316/4885MAPT 4862/4885

“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.