SCHEMBL1241957

SCHEMBL1241957

CCCCN(C)Cc1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
PYCR1 P32322 7/20 0.59
MAOB P27338 1/20 0.53
SIGMAR1 Q99720 4/20 0.48
TMEM97 Q5BJF2 3/20 0.48
TAAR1 Q96RJ0 1/20 0.47
MAPT P10636 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ACKR3 P25106 1/20 0.42

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
SCHEMBL31612505 0.94 KDM4E (0.64) KDM4EALDH1A1PYCR1MAOBSIGMAR1
SCHEMBL7132148 0.90 MAPT (0.53) KDM4EALDH1A1PYCR1MAOBSIGMAR1
SCHEMBL1241978 0.88 KDM4E (0.70) KDM4EALDH1A1PYCR1MAOBSIGMAR1
SCHEMBL8254170 0.84 KDM4E (0.50) KDM4EALDH1A1PYCR1MAOBSIGMAR1
SCHEMBL7128368 0.84 SIGMAR1 (0.55) KDM4EALDH1A1PYCR1MAOBSIGMAR1
SCHEMBL12082322 0.82 PYCR1 (0.52) KDM4EALDH1A1PYCR1MAOBSIGMAR1
SCHEMBL8724611 0.82 SIGMAR1 (0.58) KDM4EALDH1A1MAOBSIGMAR1TMEM97
SCHEMBL8722902 0.82 SIGMAR1 (0.58) KDM4EALDH1A1MAOBSIGMAR1TMEM97
SCHEMBL7764937 0.82 SIGMAR1 (0.58) KDM4EALDH1A1MAOBSIGMAR1TMEM97
SCHEMBL7764359 0.82 SIGMAR1 (0.58) KDM4EALDH1A1MAOBSIGMAR1TMEM97

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.