SCHEMBL16640633

SCHEMBL16640633

O=c1c(Cl)nc(Cl)cn1CCOCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
MAPK14 Q16539 5/20 0.40
LTA4H P09960 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.37
ALKBH1 Q13686 1/20 0.37

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
SCHEMBL19646288 0.87 MAOA (0.42) BRD4SMN1; SMN2ALDH1A1MAOAMAOB
SCHEMBL16640631 0.87 BRD4 (0.47) BRD4SMN1; SMN2ALDH1A1MAOAMAOB
SCHEMBL644097 0.79 ALDH1A1 (0.59) BRD4SMN1; SMN2ALDH1A1MAPK14RAB9A
SCHEMBL25668657 0.70 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL9098293 0.70 LTA4H (0.39) SMN1; SMN2ALDH1A1MAOAMAOBMAPK14
SCHEMBL25594902 0.69 ALDH1A1 (0.39) BRD4ALDH1A1MAOAMAOBMAPK14
SCHEMBL27581445 0.69 LTA4H (0.42) SMN1; SMN2MAOAMAOBLTA4HNPC1
SCHEMBL3860037 0.68 LTA4H (0.44) BRD4LTA4HL3MBTL1PKMTSHR
SCHEMBL3863044 0.68 LTA4H (0.44) ALDH1A1MAOAMAOBMAPK14LTA4H
SCHEMBL4871665 0.66 BRD4 (0.35) BRD4SMN1; SMN2ALDH1A1

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-9827336-B2 Radio-pharmaceutical complexes BAYER AS (NO) 2017-11-28 US disclosed
US-9827336-B2 Radio-pharmaceutical complexes BAYER AS (NO) 2017-11-28 US disclosed
US-20150147272-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2015-05-28 US disclosed
US-20150110817-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2015-04-23 US disclosed
US-20150104385-A1 RADIO-PHARMACEUTICAL COMPLEXES ALGETA ASA (NO) 2015-04-16 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 (3 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-20150147272-A1 RADIO-PHARMACEUTICAL COMPLEXES HCAR3, TYRO3, HCAR1 BRD4 4325/4885SMN1; SMN2 4815/4885ALDH1A1 2139/4885
US-20150104385-A1 RADIO-PHARMACEUTICAL COMPLEXES CD22, HAVCR2, CD2 BRD4 3732/4885SMN1; SMN2 3587/4885ALDH1A1 1908/4885
US-20150110817-A1 RADIO-PHARMACEUTICAL COMPLEXES TSPO, TK1, HCAR1 BRD4 3440/4885SMN1; SMN2 4022/4885ALDH1A1 2824/4885

“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.