SCHEMBL7988780

SCHEMBL7988780

CNC(=O)c1cccnc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.58
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.47
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
P2RX7 Q99572 1/20 0.42
PLK1 P53350 2/20 0.42
ALDH1A1 P00352 2/20 0.41
ACKR3 P25106 1/20 0.41
TP53 P04637 1/20 0.41
PDK2 Q15119 1/20 0.40
KDM4E B2RXH2 1/20 0.40
BDKRB1 P46663 1/20 0.40
DHODH Q02127 1/20 0.40
CD38 P28907 1/20 0.40
NAPRT Q6XQN6 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
SCHEMBL29646334 0.83 P2RX7 (0.58) HDAC6HCRTR1HCRTR2P2RX7ALDH1A1
SCHEMBL1447540 0.83 P2RX7 (0.58) HDAC6HCRTR1HCRTR2P2RX7ALDH1A1
SCHEMBL4394779 0.83 HDAC6 (0.51) HDAC6LMNAPOLBHCRTR1HCRTR2
SCHEMBL4372942 0.83 HDAC6 (0.51) HDAC6LMNAPOLBGAAHCRTR1
SCHEMBL18033657 0.81 HDAC6 (0.48) HDAC6LMNAPOLBHCRTR1HCRTR2
SCHEMBL27764496 0.80 HDAC6 (0.50) HDAC6LMNAHCRTR1HCRTR2ALDH1A1
SCHEMBL844529 0.80 KDM4E (0.51) HDAC6LMNAPOLBHCRTR1HCRTR2
SCHEMBL4384318 0.79 HDAC6 (0.48) HDAC6LMNAPOLBHCRTR1HCRTR2
SCHEMBL1568625 0.79 HDAC6 (0.57) HDAC6LMNAPOLBHCRTR1HCRTR2
SCHEMBL29488337 0.79 NAPRT (0.58) HDAC6LMNAHCRTR1HCRTR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110300522-A For preventing and treating the composition that harmful microbe includes 1- (Phenoxy-pyridin base) -2- (1,2,4- triazol-1-yl)-alcohol derivative 拜耳公司 2019-10-01 CN disclosed
CN-110267952-A TRIAZOLETHIONE DERIVATIVES 拜耳公司 2019-09-20 CN disclosed
CN-109803965-A The imidazolyl methyl dioxolane derivatives that 5- as fungicide replaces 拜耳作物科学股份公司 2019-05-24 CN disclosed
CN-108137538-A TRIAZOLE DERIVATIVES, INTERMEDIATES THEREOF AND THEIR USE AS FUNGICIDES 拜耳作物科学股份公司 2018-06-08 CN disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 HDAC6 532/4885LMNA 4210/4885POLB 2414/4885

“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.