SCHEMBL127078

SCHEMBL127078

Cc1nc2nc(C(F)(F)F)ccc2cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ GABRE P78334 1/20 0.39
▸ GABRA6 Q16445 1/20 0.39

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
SCHEMBL125372 0.84 TUBB4A (0.45) ALDH1A1LMNANPC1RAB9AGAA
SCHEMBL122983 0.83 TAS2R14 (0.40) ALDH1A1LMNATAS2R14SYK
SCHEMBL126502 0.81 GABRP (0.43) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL30102436 0.80 LMNA (0.55) ALDH1A1LMNANPC1RAB9AGAA
SCHEMBL148900 0.80 LMNA (0.55) ALDH1A1LMNANPC1RAB9AGAA
SCHEMBL973466 0.78 SYK (0.37) TAS2R14SYK
SCHEMBL125060 0.77 GFER (0.39) ALDH1A1LMNASORT1NOTUM
SCHEMBL124012 0.73 ACLY (0.35) LMNANPC1RAB9ATAS2R14SORT1
SCHEMBL125802 0.73 GFER (0.43) ALDH1A1MEN1KMT2ALMNASORT1
SCHEMBL127103 0.72 IDO1 (0.53) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102006777-B Herbicidal compounds SYNGENTA LTD 2015-04-01 — — CN disclosed
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 — — US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 — — EP disclosed
CN-102006777-A Herbicidal coumpounds SYNGENTA LTD 2011-04-06 — — CN disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 — — US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 — — EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 — — 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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT ALDH1A1 677/4885MEN1 1810/4885KMT2A 1162/4885

“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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