SCHEMBL16640631

SCHEMBL16640631

Cc1nc(Cl)cn(CCOCc2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.47
CYP1A2 P05177 5/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CYP3A4 P08684 4/20 0.42
TSHR P16473 4/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPK14 Q16539 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 1/20 0.39
USP2 O75604 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL16640633 0.87 BRD4 (0.43) BRD4MAOAMAOBTSHRALDH1A1
SCHEMBL19646288 0.85 MAOA (0.42) BRD4MAOAMAOBALDH1A1MAPK14
SCHEMBL25594902 0.73 ALDH1A1 (0.39) BRD4MAOAMAOBTSHRALDH1A1
SCHEMBL16745602 0.71 MAPT (0.46) TSHRMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL25594903 0.69 ALDH1A1 (0.43) MAPK1ALDH1A1LMNASMN1; SMN2PKM
SCHEMBL9098293 0.68 LTA4H (0.39) MAOAMAOBTSHRALDH1A1MAPK14
SCHEMBL3354717 0.68 HTT (0.71) ALDH1A1LMNAMAPK14SMN1; SMN2MEN1
SCHEMBL27581445 0.67 LTA4H (0.42) MAOAMAOBTSHRSMN1; SMN2MEN1
SCHEMBL23053810 0.67 ALDH1A1 (0.46) CYP1A2TSHRALDH1A1CYP2C19SMN1; SMN2
SCHEMBL16640634 0.67 NOTUM (0.48) MAOAMAOBALDH1A1MAPK14SMN1; SMN2

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 BRD4 4325/4885CYP1A2 1538/4885MAOA 2136/4885
US-20150104385-A1 RADIO-PHARMACEUTICAL COMPLEXES CD22, HAVCR2, CD2 BRD4 3732/4885CYP1A2 1467/4885MAOA 2660/4885
US-20150110817-A1 RADIO-PHARMACEUTICAL COMPLEXES TSPO, TK1, HCAR1 BRD4 3440/4885CYP1A2 2713/4885MAOA 2116/4885

“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.