SCHEMBL1241978

SCHEMBL1241978

CCCN(C)Cc1ccc(Br)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
ALDH1A1 P00352 1/20 0.70
PYCR1 P32322 8/20 0.62
MAOB P27338 1/20 0.56
TAAR1 Q96RJ0 1/20 0.50
HRH3 Q9Y5N1 1/20 0.45
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
LSS P48449 2/20 0.42
CXCR3 P49682 1/20 0.41
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL21118237 0.89 HRH3 (0.54) KDM4EALDH1A1PYCR1MAOBHRH3
SCHEMBL1241957 0.88 KDM4E (0.66) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL31612505 0.86 KDM4E (0.64) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL15128047 0.84 PYCR1 (0.67) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL1241075 0.83 KDM4E (0.69) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL16550458 0.83 KDM4E (0.53) KDM4EALDH1A1PYCR1TAAR1HRH3
SCHEMBL4278577 0.82 KDM4E (1.00) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL308505 0.82 KDM4E (0.62) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL308737 0.82 KDM4E (0.62) KDM4EALDH1A1PYCR1MAOBTAAR1
SCHEMBL23601608 0.79 ALDH1A1 (0.46) KDM4EALDH1A1PYCR1HRH3CARM1

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-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 US disclosed
EP-2151447-A1 LINCOMYCIN DERIVATIVES AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-02-10 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-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 KDM4E 3818/4885ALDH1A1 3224/4885PYCR1 258/4885

“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.