SCHEMBL16774467

SCHEMBL16774467

C#CCOc1cc(NC(=O)NC)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.45
▸ HDAC1 Q13547 3/20 0.45
▸ HDAC2 Q92769 3/20 0.45
▸ HDAC8 Q9BY41 3/20 0.45
▸ MAOA P21397 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ EPHX1 P07099 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ GRM4 Q14833 3/20 0.43
▸ CYP2B6 P20813 1/20 0.42
▸ PYGL P06737 2/20 0.41
▸ RORC P51449 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PGK1 P00558 1/20 0.40

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
SCHEMBL11508893 0.80 RORC (0.48) HDAC6HDAC1HDAC2HDAC8MAOA
SCHEMBL16774378 0.77 PGK1 (0.41) HDAC6HDAC1HDAC2HDAC8MAOA
SCHEMBL18475759 0.76 CYP2B6 (0.40) HDAC6HDAC1HDAC2HDAC8MAOA
SCHEMBL8566855 0.75 PGK1 (0.42) HDAC6HDAC1HDAC2HDAC8MAOA
SCHEMBL5763287 0.74 CYP2B6 (0.53) HDAC8ALDH1A1CYP2B6CA2CA9
SCHEMBL11859469 0.74 RORC (0.52) HDAC6HDAC1HDAC2HDAC8MAOA
Hydrochloric Acid SCHEMBL8688742 0.73 PGK1 (0.41) HDAC6HDAC1HDAC2HDAC8MAOA
SCHEMBL6736264 0.73 PGK1 (0.41) HDAC6HDAC1HDAC2HDAC8MAOA
SCHEMBL30876298 0.73 EPHX1 (0.78) ALDH1A1EPHX1EPHX2CA2CA4
SCHEMBL2893642 0.73 EPHX1 (0.78) ALDH1A1EPHX1EPHX2CA2CA4

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-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2022-04-21 — — US disclosed
US-9968092-B2 Combination of novel nitrification inhibitors and biopesticides as well as combination of (thio)phosphoric acid triamides and biopesticides BASF SE (DE) 2018-05-15 — — US disclosed
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2017-08-10 — — US disclosed
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides BASF SE (DE) 2017-06-29 — — US disclosed
WO-2015158853-A1 NOVEL NITRIFICATION INHIBITORS BASF SE (DE) 2015-10-22 — — WO disclosed
WO-2015081349-A2 COMBINATION OF NOVEL NITRIFICATION INHIBITORS AND HERBICIDES AS WELL AS COMBINATION OF (THIO)PHOSPHORIC ACID TRIAMIDES AND HERBICIDES BASF SE (DE) 2015-06-04 — — 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 (3 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-20220117231-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NMT2, NAPRT, NAMPT HDAC6 2159/4885HDAC1 2640/4885HDAC2 2465/4885
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides PRXL2A, NIT2, NAT1 HDAC6 2968/4885HDAC1 2038/4885HDAC2 1894/4885
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NAT1, PRXL2A, DDAH1 HDAC6 2691/4885HDAC1 1661/4885HDAC2 2450/4885

“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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