SCHEMBL968892

SCHEMBL968892

Fc1cncc(-c2ccc(Br)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.54
CYP11B1 P15538 8/20 0.54
CYP17A1 P05093 1/20 0.44
CYP21A2 P08686 1/20 0.44
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
CYP2A6 P11509 1/20 0.39
GAA P10253 1/20 0.38
ALPL P05186 1/20 0.38
PIK3CG P48736 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL17952752 0.82 CYP11B2 (0.53) CYP11B2CYP11B1CYP17A1CHRNB4CHRNA3
SCHEMBL12947928 0.79 CYP11B2 (0.50) CYP11B2CYP11B1CHRNB4CHRNA3PIK3CG
SCHEMBL21044202 0.79 TAAR1 (0.53) CYP11B2CYP11B1CHRNB4CHRNA3ALDH1A1
SCHEMBL425957 0.79 CYP11B1 (0.57) CYP11B2CYP11B1CHRNB4CHRNA3CYP2A6
SCHEMBL24408437 0.78 CYP11B2 (0.50) CYP11B2CYP11B1CHRNB4CHRNA3
SCHEMBL21754246 0.78 CYP11B2 (0.50) CYP11B2CYP11B1CHRNB4CHRNA3
SCHEMBL3830020 0.78 LMNA (0.50) CYP11B2CYP11B1CYP17A1CYP21A2CHRNB4
SCHEMBL12436807 0.78 CYP11B2 (0.50) CYP11B2CYP11B1CHRNB4CHRNA3
SCHEMBL4319858 0.78 PTGS2 (0.46) CYP11B2CYP11B1ALDH1A1MAPK1GAA
SCHEMBL2652535 0.77 CYP11B2 (0.43) CYP11B2CYP11B1CYP17A1

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 CYP11B2 1407/4885CYP11B1 886/4885CYP17A1 3352/4885
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A CYP11B2 3827/4885CYP11B1 3818/4885CYP17A1 4033/4885

“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.