SCHEMBL16005219

SCHEMBL16005219

NC(=O)Cc1cc(F)c(F)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.36
▸ ICMT O60725 5/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ CA2 P00918 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ SLC9A1 P19634 1/20 0.32
▸ KDM1A O60341 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ KDM1B Q8NB78 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
SCHEMBL30886441 0.87 HDAC1 (0.35) DGAT1ICMTHDAC1HTTKIF11
SCHEMBL24575335 0.86 KDM1A (0.38) DGAT1ICMTHDAC1HDAC8HTT
SCHEMBL3366555 0.82 CXCL8 (0.40) HDAC1HDAC8
SCHEMBL30835160 0.82 CXCL8 (0.40) HDAC1HDAC8
SCHEMBL29819673 0.81 HDAC1 (0.40) ICMTHDAC1HDAC8HTTRORC
SCHEMBL12984764 0.81 HDAC1 (0.40) ICMTHDAC1HDAC8HTTRORC
SCHEMBL30886478 0.80 MEN1 (0.38) HTT
SCHEMBL31485520 0.79 CCR6 (0.36) DGAT1ICMTRORCCA2CA12
SCHEMBL30886492 0.79 KIF11 (0.34) DGAT1ICMTHDAC1HTTKIF11
SCHEMBL4314806 0.78 KIF11 (0.36) DGAT1ICMTHDAC1HDAC8HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137633-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES AJINOMOTO CO., INC. (JP) 2016-05-19 — — US disclosed
US-9290487-B2 Pharmaceutical composition for treating diabetes AJINOMOTO CO., INC. (JP) 2016-03-22 — — US disclosed
US-20140336376-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES AJINOMOTO CO., INC. (JP) 2014-11-13 — — US disclosed
EP-2774917-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES Ajinomoto Co., Inc. (JP) 2014-09-10 — — EP 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-20140336376-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES PPARG, GPR119, GYS2 DGAT1 184/4885ICMT 4450/4885HDAC1 911/4885
US-20160137633-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES PPARG, GPR119, GYS2 DGAT1 184/4885ICMT 4450/4885HDAC1 911/4885

“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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