SCHEMBL968551

SCHEMBL968551

NCC1CCCN1C(=O)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
CA2 P00918 2/20 0.43
SPHK2 Q9NRA0 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL968549 1.00 HPGD (0.49) HPGDCHRNB2CHRNA7CHRNA4L3MBTL3
SCHEMBL970102 0.87 SPHK2 (0.55) HPGDCHRNB2CHRNA7CHRNA4L3MBTL3
SCHEMBL966970 0.87 SPHK2 (0.55) HPGDCHRNB2CHRNA7CHRNA4L3MBTL3
SCHEMBL966968 0.87 SPHK2 (0.55) HPGDCHRNB2CHRNA7CHRNA4L3MBTL3
SCHEMBL970043 0.85 HPGD (0.49) HPGDCHRNB2CHRNA7CHRNA4L3MBTL3
SCHEMBL17888415 0.85 GAA (0.49) HPGDGAAHRH3POLB
SCHEMBL970042 0.85 HPGD (0.49) HPGDCHRNB2CHRNA7CHRNA4L3MBTL3
SCHEMBL12947819 0.85 GAA (0.49) HPGDGAAHRH3POLB
SCHEMBL5024926 0.85 SPHK2 (0.50) HPGDCHRNB2CHRNA7CHRNA4L3MBTL1
SCHEMBL1799107 0.83 HRH3 (0.60) HPGDHRH3

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-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 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-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 HPGD 2051/4885CHRNB2 4718/4885CHRNA7 4121/4885

“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.