SCHEMBL4839716

SCHEMBL4839716

OC(COc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1)CN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
NPSR1 Q6W5P4 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 2/20 0.48
HIF1A Q16665 1/20 0.48
KMT2A Q03164 2/20 0.47
ACE2 Q9BYF1 1/20 0.47
ABCB1 P08183 5/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL4839497 0.99 NPSR1 (0.54) ATMNPSR1CYP2D6CYP2C19KDM4E
SCHEMBL6247217 0.94 TSHR (0.55) ATMNPSR1CYP2D6CYP2C19KDM4E
SCHEMBL4835082 0.91 NPSR1 (0.45) ATMNPSR1CYP2D6CYP2C19KDM4E
SCHEMBL6222365 0.91 NPSR1 (0.45) ATMNPSR1CYP2D6CYP2C19KDM4E
SCHEMBL4835069 0.91 TSHR (0.58) KDM4ETSHRKMT2AABCB1SMN1; SMN2
SCHEMBL4834966 0.90 KMT2A (0.45) ATMNPSR1CYP2D6CYP2C19KDM4E
SCHEMBL4843946 0.90 ALDH1A1 (0.54) ATMNPSR1KDM4ETSHRKMT2A
SCHEMBL4844690 0.89 MEN1 (0.58) ATMNPSR1CYP2D6CYP2C19KDM4E
SCHEMBL4838783 0.88 KMT2A (0.43) ATMNPSR1TSHRKMT2AALDH1A1
SCHEMBL4839047 0.87 POLB (0.51) NPSR1KDM4EPOLBTSHRKMT2A

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
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP claimed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 US claimed
US-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 ATM 620/4885NPSR1 1799/4885CYP2D6 1106/4885

“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.