SCHEMBL13201464

SCHEMBL13201464

O=C1c2cc(OC(F)F)ccc2CN1CBr

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 17/20 0.41
EZH2 Q15910 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
CCR6 P51684 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL5955654 0.81 ADAM17 (0.58) ADAM17ALDH1A1HPGDKDM4E
SCHEMBL14467145 0.78 DDB1 (0.41) ALDH1A1HPGDMEN1LMNAHSP90AA1
SCHEMBL13201450 0.78 ADAM17 (0.43) ADAM17EZH2MEN1KMT2A
SCHEMBL10113050 0.78 ADAM17 (0.49) ADAM17
SCHEMBL8227598 0.73 ADAM17 (0.66) ADAM17
SCHEMBL13201486 0.73 ADAM17 (0.59) ADAM17
SCHEMBL13218928 0.73 CRBN (0.44) ADAM17ALDH1A1HPGDKDM4E
SCHEMBL10085826 0.72 NPC1 (0.55) ALDH1A1HPGDKDM4EMEN1LMNA
SCHEMBL13218705 0.72 ADAM17 (0.67) ADAM17
SCHEMBL14441884 0.71 ADAM17 (0.35) ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 US disclosed
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 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 (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-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 ADAM17 13/4885EZH2 3955/4885ALDH1A1 1372/4885
US-20070197564-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 ADAM17 13/4885EZH2 3955/4885ALDH1A1 1372/4885

“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.