SCHEMBL14478770

SCHEMBL14478770

COc1c(Cl)ccc(-c2nc(N)c(Cl)c(C(C)=O)n2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SCN10A Q9Y5Y9 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR5A P47898 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33

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
SCHEMBL12364193 0.91 MEP1B (0.36) ALDH1A1KDM4EHSD17B10SCN10ANPC1
SCHEMBL1224599 0.90 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10SCN10AHTR1A
SCHEMBL1224460 0.88 KDM4E (0.40) ALDH1A1KDM4EHSD17B10SCN10ANPC1
SCHEMBL678359 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10SCN10AHTR1A
SCHEMBL29443526 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10SCN10AHTR1A
SCHEMBL14478771 0.81 LMNA (0.34) —
SCHEMBL679753 0.80 KDM4E (0.38) ALDH1A1KDM4EHSD17B10SCN10APKM
SCHEMBL679154 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10SCN10AHTR1A
SCHEMBL29769728 0.80 KDM4E (0.38) ALDH1A1KDM4EHSD17B10SCN10APKM
Potassium SCHEMBL679156 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10SCN10AHTR1A

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
US-9199943-B2 2-(poly-substituted aryl)-6-amino-5-halo-4-pyrimidinecarboxylic acids and their use as herbicides DOW AGROSCIENCES, LLC. (US) 2015-12-01 — — US disclosed
US-20130237422-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2013-09-12 — — US disclosed
US-20130005577-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2013-01-03 — — 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-20130237422-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DDT, DDC, HDHD5 ALDH1A1 839/4885KDM4E 567/4885HSD17B10 2745/4885
US-20130005577-A1 2-(POLY-SUBSTITUTED ARYL)-6-AMINO-5-HALO-4-PYRIMIDINECARBOXYLIC ACIDS AND THEIR USE AS HERBICIDES DDT, DDC, HDHD5 ALDH1A1 839/4885KDM4E 567/4885HSD17B10 2745/4885

“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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