SCHEMBL968383

SCHEMBL968383

Fc1ccc(-c2ccc(Br)cc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.52
CYP2B6 P20813 3/20 0.52
CYP2E1 P05181 1/20 0.52
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP11B2 P19099 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.39
PDE10A Q9Y233 2/20 0.39
DHODH Q02127 1/20 0.39
JAK2 O60674 1/20 0.39
RET P07949 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL26104326 0.85 CYP2A6 (0.64) CYP2A6CYP2B6CYP2E1CYP11B2CYP3A4
SCHEMBL753744 0.81 CYP2A6 (0.55) CYP2A6CYP2B6CYP2E1NPC1RAB9A
SCHEMBL29751851 0.80
SCHEMBL4316048 0.80 KDM4E (0.43) CYP2A6CYP2B6CYP2E1CYP11B2CYP3A4
SCHEMBL114154 0.80
SCHEMBL134108 0.79 CYP2A6 (0.53) CYP2A6CYP2B6CYP2E1NPC1NFKB1
SCHEMBL16520501 0.78 NPC1 (0.54) CYP2A6NPC1NFKB1RAB9ANFKB2
SCHEMBL21410153 0.77 CYP2A6 (0.52) CYP2A6CYP2B6CYP2E1CYP11B2CYP3A4
SCHEMBL22130223 0.77 ALDH1A1 (0.56) CYP2A6CYP2B6CYP2E1NPC1RAB9A
SCHEMBL30098437 0.77 ALDH1A1 (0.56) CYP2A6CYP2B6CYP2E1NPC1RAB9A

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 6 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-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
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 (2 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 CYP2A6 486/4885CYP2B6 272/4885CYP2E1 1642/4885
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A CYP2A6 548/4885CYP2B6 824/4885CYP2E1 3670/4885

“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.