SCHEMBL969107

SCHEMBL969107

COCCCN(CCOC)C(=O)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.51
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
NAMPT P43490 6/20 0.46
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 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
SCHEMBL12947868 0.86 MLYCD (0.52) MLYCDHDAC1HDAC6NAMPTHSD17B10
SCHEMBL22859074 0.83 CDK4 (0.46) HDAC1HDAC6NAMPTHTTALDH1A1
SCHEMBL12920012 0.82 MLYCD (0.49) MLYCDHDAC1HDAC6NAMPTHSD17B10
SCHEMBL9888801 0.81 DRD2 (0.50) MLYCDHDAC1HDAC6NPC1HPGD
SCHEMBL28506371 0.80 NAMPT (0.51) MLYCDNAMPTALDH1A1MAPTNPC1
SCHEMBL9888697 0.79 MLYCD (0.57) MLYCDHDAC1HDAC6NAMPTHSD17B10
SCHEMBL22077519 0.77 NAMPT (0.56) MLYCDHDAC1HDAC6NAMPTHSD17B10
SCHEMBL12194867 0.76 MLYCD (0.58) MLYCDHDAC1HDAC6NAMPTHSD17B10
SCHEMBL7454658 0.75 MLYCD (0.62) MLYCDHDAC1HDAC6ALDH1A1MAPT
SCHEMBL19634689 0.75 MLYCD (0.54) MLYCDHDAC1HDAC6NAMPTHSD17B10

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 MLYCD 1289/4885HDAC1 12/4885HDAC6 51/4885

“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.