SCHEMBL3764601

SCHEMBL3764601

N#Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)nc1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ADORA2A P29274 1/20 0.45
POLB P06746 1/20 0.45
CASP6 P55212 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADORA3 P0DMS8 3/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRM4 Q14833 1/20 0.41
PKM P14618 1/20 0.41
GLA P06280 1/20 0.40

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
SCHEMBL1848574 1.00 ALDH1A1 (0.54) ALDH1A1HTTMEN1KMT2AADORA2A
SCHEMBL1848575 1.00 ALDH1A1 (0.54) ALDH1A1HTTMEN1KMT2AADORA2A
SCHEMBL3758410 1.00 ALDH1A1 (0.54) ALDH1A1HTTMEN1KMT2AADORA2A
SCHEMBL1852660 1.00 ALDH1A1 (0.54) ALDH1A1HTTMEN1KMT2AADORA2A
SCHEMBL1849285 0.90 ADORA2A (0.55) ALDH1A1MEN1KMT2AADORA2APOLB
SCHEMBL1850220 0.90 ADORA2A (0.55) ALDH1A1MEN1KMT2AADORA2APOLB
SCHEMBL3769403 0.88 ADORA3 (0.57) ALDH1A1HTTMEN1KMT2AADORA2A
SCHEMBL1848521 0.88 ADORA3 (0.57) ALDH1A1HTTMEN1KMT2AADORA2A
SCHEMBL1847117 0.88 ADORA3 (0.57) ALDH1A1HTTMEN1KMT2AADORA2A
SCHEMBL3769488 0.88 ADORA3 (0.57) ALDH1A1HTTMEN1KMT2AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410282-B2 Compounds as adenosine A1 receptor antagonists PALOBIOFARMA, S.L. (ES) 2013-04-02 US disclosed
US-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2010-12-09 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-20100311703-A1 NEW COMPOUNDS AS ADENOSINE A1 RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 ALDH1A1 362/4885HTT 3101/4885MEN1 2559/4885

“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.