SCHEMBL18580604

SCHEMBL18580604

CC1(C)Oc2cc(C(F)(F)F)cnc2NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.47
NTRK1 P04629 5/20 0.43
NTRK3 Q16288 5/20 0.43
NTRK2 Q16620 5/20 0.43
AGBL2 Q5U5Z8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.34
MAPK1 P28482 2/20 0.33
GAA P10253 1/20 0.33
BMPR1B O00238 1/20 0.33
CDC7 O00311 1/20 0.33
PIK3CD O00329 1/20 0.33
PLK4 O00444 1/20 0.33
STK25 O00506 1/20 0.33
CIT O14578 1/20 0.33
RIOK3 O14730 1/20 0.33

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
SCHEMBL13657928 0.87 BRD4 (0.48) BRD4NTRK1NTRK3NTRK2SMN1; SMN2
SCHEMBL15743897 0.78 BRD4 (0.48) BRD4NTRK1NTRK3NTRK2SMN1; SMN2
SCHEMBL18307127 0.77 BRD4 (0.47) BRD4NTRK1NTRK3NTRK2SMN1; SMN2
SCHEMBL755912 0.77 BRD4 (0.47) BRD4NTRK1NTRK3NTRK2SMN1; SMN2
SCHEMBL13181117 0.77 BRD4 (0.47) BRD4NTRK1NTRK3NTRK2SMN1; SMN2
SCHEMBL16941382 0.75 BRD4 (0.46) BRD4NTRK1NTRK3NTRK2SMN1; SMN2
SCHEMBL13661740 0.75 BRD4 (0.46) BRD4NTRK1NTRK3NTRK2SMN1; SMN2
SCHEMBL18581246 0.73 KDM4E (0.34) AGBL2SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL17026919 0.73 BRD4 (0.48) BRD4SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL18581260 0.71 BRD4 (0.41) BRD4SMN1; SMN2ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 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 (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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 BRD4 120/4885NTRK1 254/4885NTRK3 173/4885

“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.