SCHEMBL2541967

SCHEMBL2541967

Nc1c(F)cc(C=O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
KIF11 P52732 1/20 0.34
CA3 P07451 1/20 0.33
XDH P47989 1/20 0.32
ERN1 O75460 1/20 0.32
CYP2A6 P11509 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
SCHEMBL48658 0.78 CES2 (0.42) ALDH1A1SMN1; SMN2KIF11XDHERN1
SCHEMBL1811153 0.76 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KIF11XDHERN1
SCHEMBL6738427 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KIF11XDHERN1
SCHEMBL29957050 0.75 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2KIF11ERN1
SCHEMBL4547667 0.74 HDAC1 (0.40) HDAC1HDAC6ALDH1A1SMN1; SMN2KIF11
SCHEMBL14194018 0.74 ALDH1A1 (0.36) HDAC1HDAC6ALDH1A1CA1CA2
SCHEMBL1922945 0.74 ERN1 (0.52) ALDH1A1SMN1; SMN2XDHERN1
SCHEMBL16584916 0.74 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KIF11XDHERN1
SCHEMBL6735248 0.74 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KIF11XDHERN1
SCHEMBL8280034 0.73 ALDH1A1 (0.50) HDAC1HDAC6ALDH1A1SMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013175-B9 p38 MAP KINASE INHIBITORS MACROPHAGE PHARMA LTD (GB) 2020-11-11 EP disclosed
EP-2013175-B9 p38 MAP KINASE INHIBITORS MACROPHAGE PHARMA LTD (GB) 2020-11-11 EP disclosed
EP-2013175-B1 p38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2016-11-09 EP disclosed
EP-2013175-B1 p38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2016-11-09 EP disclosed
US-8044211-B2 P38 MAP kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-10-25 US disclosed
US-8044211-B2 P38 MAP kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-10-25 US disclosed
US-8044211-B2 P38 MAP kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-10-25 US disclosed
US-20090099185-A1 P38 Map Kinase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
US-20090099185-A1 P38 Map Kinase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
US-20090099185-A1 P38 Map Kinase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
EP-2013175-A1 p38 MAP KINASE INHIBITORS Chroma Therapeutics Limited (GB) 2009-01-14 EP disclosed
WO-2007129040-A1 p38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 WO disclosed
WO-2007129040-A1 p38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 WO disclosed
EP-0930298-B1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2002-12-18 EP disclosed
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 US disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 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 (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-20090099185-A1 P38 Map Kinase Inhibitors MAPK1, CNKSR1, MAPK3 HDAC1 709/4885HDAC6 2466/4885ALDH1A1 1072/4885

“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.