SCHEMBL12956468

SCHEMBL12956468

O=C(NC[C@H]1CN(c2ccc(I)c(F)c2)C(=O)O1)C(Cl)Cl

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.54
▸ MAOA P21397 5/20 0.53
▸ MAOB P27338 3/20 0.53
▸ LMNA P02545 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ CALML3 P27482 1/20 0.53
▸ SDHA P31040 1/20 0.53

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
SCHEMBL1034799 0.91 MAOA (0.54) F10MAOAMAOBLMNAPTGS1
SCHEMBL1034798 0.91 MAOA (0.54) F10MAOAMAOBLMNAPTGS1
SCHEMBL13428554 0.88 F10 (0.68) F10MAOAMAOBLMNAPTGS1
SCHEMBL13150861 0.88 F10 (0.49) F10MAOAMAOBLMNAPTGS1
SCHEMBL1033024 0.86 MAOA (0.70) F10MAOAMAOBLMNAPTGS1
SCHEMBL1033023 0.86 MAOA (0.70) F10MAOAMAOBLMNAPTGS1
SCHEMBL5917566 0.84 MAOB (0.71) F10MAOAMAOBLMNAPTGS1
SCHEMBL5917645 0.84 MAOA (0.56) F10MAOAMAOBLMNAPTGS1
SCHEMBL16737266 0.84 MAOA (0.50) F10MAOAMAOBLMNAPTGS1
SCHEMBL16737267 0.84 MAOA (0.50) F10MAOAMAOBLMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376400-B2 Process for the synthesis of triazoles MELINTA THERAPEUTICS, INC. (US) 2016-06-28 — — US disclosed
US-9376400-B2 Process for the synthesis of triazoles MELINTA THERAPEUTICS, INC. (US) 2016-06-28 — — US disclosed
US-20150158827-A1 Process for the Synthesis of Triazoles MELINTA SUBSIDIARY CORP. 2015-06-11 — — US disclosed
US-20150158827-A1 Process for the Synthesis of Triazoles MELINTA SUBSIDIARY CORP. 2015-06-11 — — US disclosed
US-8796465-B2 Process for the syntheses of triazoles MELINTA THERAPEUTICS, INC. (US) 2014-08-05 — — US disclosed
US-8796465-B2 Process for the syntheses of triazoles MELINTA THERAPEUTICS, INC. (US) 2014-08-05 — — US disclosed
US-20140031402-A1 Process for the Syntheses of Triazoles RIB-X PHARMACEUTICALS, INC. (US) 2014-01-30 — — US disclosed
US-20140031402-A1 Process for the Syntheses of Triazoles RIB-X PHARMACEUTICALS, INC. (US) 2014-01-30 — — US disclosed
US-8399660-B2 Process for the synthesis of triazoles RIB-X PHARMACEUTICALS, INC. (US) 2013-03-19 — — US disclosed
EP-1904489-B1 PROCESS FOR THE SYNTHESIS OF TRIAZOLES RIB X PHARMACEUTICALS INC (US) 2011-01-26 — — EP disclosed
US-20100234615-A1 Process for the synthesis of triazoles MELINTA SUBSIDIARY CORP. 2010-09-16 — — 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 (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-20100234615-A1 Process for the synthesis of triazoles PROKR1, SI, IL33 F10 4451/4885MAOA 1726/4885MAOB 1344/4885
US-20140031402-A1 Process for the Syntheses of Triazoles PROKR1, VIP, SI F10 4431/4885MAOA 1794/4885MAOB 1380/4885
US-20150158827-A1 Process for the Synthesis of Triazoles PROKR1, SI, IL33 F10 4451/4885MAOA 1726/4885MAOB 1344/4885

“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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