SCHEMBL969401

SCHEMBL969401

O=C(c1ccc(Br)cc1F)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.58
CPS1 P31327 2/20 0.55
HPGD P15428 8/20 0.54
DGAT1 O75907 1/20 0.53
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
USP2 O75604 1/20 0.50
CNR1 P21554 2/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL30791513 0.98 CCKBR (0.56) CCKBRCPS1HPGDDGAT1ALDH1A1
SCHEMBL1424241 0.98 CCKBR (0.56) CCKBRCPS1HPGDDGAT1ALDH1A1
SCHEMBL643698 0.95 CPS1 (0.60) CCKBRCPS1HPGDDGAT1ALDH1A1
SCHEMBL1447151 0.86 MAPT (0.52) CCKBRCPS1DGAT1RAB9AMAPT
SCHEMBL1447752 0.86 POLB (0.62) CCKBRCPS1DGAT1NPC1RAB9A
SCHEMBL968813 0.84 MAPT (0.57) CPS1DGAT1NPC1RAB9AMAPT
SCHEMBL29897652 0.84 MAPT (0.57) CPS1DGAT1NPC1RAB9AMAPT
SCHEMBL11960825 0.84 DGAT1 (0.50) CCKBRCPS1HPGDDGAT1ALDH1A1
SCHEMBL1447852 0.84 CPS1 (0.56) CPS1DGAT1ALDH1A1NPC1RAB9A
SCHEMBL29816274 0.83 CNR1 (0.63) CPS1HPGDALDH1A1NPC1RAB9A

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 CCKBR 3246/4885CPS1 780/4885HPGD 2051/4885

“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.