SCHEMBL1000061

SCHEMBL1000061

Brc1ccc(-c2cncnc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.48
ATM Q13315 1/20 0.46
CYP19A1 P11511 2/20 0.41
EGLN1 Q9GZT9 1/20 0.40
XDH P47989 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ERN1 O75460 1/20 0.36
CYP11B1 P15538 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33

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
SCHEMBL29740319 0.84 CYP19A1 (0.44) CYP2A6CYP19A1NPC1RAB9ASMN1; SMN2
SCHEMBL787481 0.84 CYP19A1 (0.44) CYP2A6CYP19A1NPC1RAB9ASMN1; SMN2
SCHEMBL998813 0.77 CYP2A6 (0.65) CYP2A6CYP19A1SMN1; SMN2CYP11B1ALDH1A1
SCHEMBL7280526 0.76 CYP19A1 (0.58) CYP19A1SMN1; SMN2CYP3A4DYRK1ADYRK1B
SCHEMBL6682176 0.76 ATM (0.72) CYP2A6ATMEGLN1XDHNPC1
SCHEMBL16520501 0.75 NPC1 (0.54) CYP2A6ATMCYP19A1NPC1RAB9A
SCHEMBL998922 0.75 ATM (0.56) CYP2A6ATMCYP19A1XDHNPC1
SCHEMBL12951378 0.74 CYP2A6 (0.52) CYP2A6ATMEGLN1XDHNPC1
SCHEMBL13403429 0.74 PIK3CD (0.57) CYP2A6ATMNPC1RAB9ASMN1; SMN2
SCHEMBL1422415 0.74 CYP2A6 (0.56) CYP2A6CYP19A1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 US disclosed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 US disclosed
EP-2166015-A1 LINCOSAMIDE DERIVATIVE, AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-03-24 EP 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-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A CYP2A6 548/4885ATM 3669/4885CYP19A1 3584/4885

“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.