SCHEMBL1242280

SCHEMBL1242280

CN(C)C[C@@H]1CCCN1Cc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ SPHK1 Q9NYA1 4/20 0.44
▸ SPHK2 Q9NRA0 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ LTA4H P09960 2/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL1242282 1.00 HDAC8 (0.44) HDAC8HDAC6HDAC1SPHK1SPHK2
SCHEMBL13479297 0.87 HRH3 (0.47) HDAC8HDAC6HDAC1SPHK1SPHK2
SCHEMBL13343774 0.85 ALDH1A1 (0.56) HDAC8HDAC6HDAC1SPHK1SPHK2
SCHEMBL1189408 0.85 OPRD1 (0.56) SPHK1SPHK2OPRD1LTA4H
SCHEMBL25824759 0.83 MAPK1 (0.55) HDAC8HDAC6HDAC1SPHK1SPHK2
SCHEMBL12891094 0.83 HDAC8 (0.43) HDAC8HDAC6HDAC1SPHK1SPHK2
SCHEMBL1189890 0.81 OPRD1 (0.62) KDM4EALDH1A1OPRD1
SCHEMBL26619347 0.81 OPRD1 (0.62) KDM4EALDH1A1OPRD1
SCHEMBL24108929 0.80 HDAC8 (0.44) HDAC8HDAC6HDAC1SPHK1SPHK2
SCHEMBL1242026 0.80 SPHK1 (0.60) SPHK1SPHK2

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 2 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

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 HDAC8 230/4885HDAC6 161/4885HDAC1 62/4885

“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.

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