SCHEMBL13530850

SCHEMBL13530850

Oc1ncc(F)c(N(O)Cc2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CTSL P07711 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ MGLL Q99685 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ ACHE P22303 1/20 0.32

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
SCHEMBL1223458 0.84 PDE5A (0.43) ALDH1A1KDM4ESMN1; SMN2HTTTSHR
SCHEMBL13530849 0.84 AOC3 (0.36) CFTRTDP1CTSLALDH1A1KDM4E
SCHEMBL13530829 0.80 ACHE (0.38) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL13530855 0.76 L3MBTL1 (0.33) CFTRTDP1CTSLALDH1A1L3MBTL1
SCHEMBL13529745 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CYP1A2CYP3A4L3MBTL1
SCHEMBL13530810 0.69 GBA1 (0.45) CYP1A2CYP3A4L3MBTL1TSHRCYP2D6
SCHEMBL31107306 0.67 ALDH1A1 (0.44) CFTRALDH1A1CYP1A2CYP3A4L3MBTL1
SCHEMBL1223461 0.66 L3MBTL1 (0.45) TDP1ALDH1A1KDM4EL3MBTL1HTT
SCHEMBL1223502 0.66 METAP2 (0.45) ALDH1A1KDM4ESMN1; SMN2HTTTSHR
SCHEMBL27638752 0.65 CYP1A2 (0.51) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 — — US disclosed
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 — — US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 — — US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 — — US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 — — US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 — — 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-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 CFTR 1376/4885TDP1 81/4885CTSL 2014/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 CFTR 1376/4885TDP1 81/4885CTSL 2014/4885

“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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