SCHEMBL16640634

SCHEMBL16640634

Cc1c(C(=O)O)ccn(CCOCc2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
MAPK14 Q16539 2/20 0.46
PTGER1 P34995 1/20 0.41
TEAD3 Q99594 1/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALKBH1 Q13686 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
LTA4H P09960 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 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
SCHEMBL16640636 0.88 TSHR (0.43) MAPK14ALDH1A1GAAKMT2AL3MBTL1
SCHEMBL16411434 0.85 NOTUM (0.62) NOTUMPTGER1TEAD3ALDH1A1GAA
SCHEMBL19646277 0.84 HTT (0.42) NOTUMMAPK14TEAD3ALDH1A1GAA
SCHEMBL29886703 0.80 NOTUM (0.45) NOTUMTEAD3ALDH1A1GAAMEN1
SCHEMBL16640630 0.79 KMT2A (0.44) NOTUMMAPK14TEAD3ALDH1A1GAA
SCHEMBL19646278 0.78 ALDH1A1 (0.43) MAPK14ALDH1A1GAAMEN1KMT2A
SCHEMBL16415457 0.76 TSHR (0.48) NOTUMALDH1A1GAAPKMMEN1
SCHEMBL12584099 0.75 ALDH1A1 (0.42) NOTUMPTGER1TEAD3ALDH1A1GAA
SCHEMBL20661083 0.74 TEAD3 (0.45) TEAD3ALDH1A1GAAMEN1KMT2A
SCHEMBL27199304 0.73 L3MBTL1 (0.39) MAPK14TEAD3GAAMEN1KMT2A

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 4 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-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 NOTUM 3567/4885MAPK14 4656/4885PTGER1 3082/4885
US-20150104385-A1 RADIO-PHARMACEUTICAL COMPLEXES CD22, HAVCR2, CD2 NOTUM 3042/4885MAPK14 4708/4885PTGER1 3578/4885
US-20150110817-A1 RADIO-PHARMACEUTICAL COMPLEXES TSPO, TK1, HCAR1 NOTUM 2991/4885MAPK14 4737/4885PTGER1 4416/4885

“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.