SCHEMBL1016826

SCHEMBL1016826

CCCN(C(=O)COC)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
TP53 P04637 3/20 0.41
GAA P10253 1/20 0.39
MLYCD O95822 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
PKM P14618 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
MAPT P10636 1/20 0.37
OPRM1 P35372 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL5218475 0.78 TP53 (0.43) TP53MLYCDALDH1A1MEN1KMT2A
SCHEMBL5681948 0.78 ALOX5 (0.42) HPGDTP53MLYCDKDM4EALDH1A1
SCHEMBL970622 0.77 HPGD (0.49) HPGDTP53MLYCDKDM4EALDH1A1
SCHEMBL14174970 0.74 KDM4E (0.46) TP53KDM4EALDH1A1HSD17B10MEN1
SCHEMBL2551511 0.74 MLYCD (0.38) HPGDTP53MLYCDKDM4EALDH1A1
SCHEMBL6222864 0.73 NPC1 (0.42) TP53MLYCDALDH1A1MEN1KMT2A
SCHEMBL14174754 0.73 KDM4E (0.48) HPGDTP53MLYCDKDM4EALDH1A1
SCHEMBL28269636 0.72 TP53 (0.42) TP53GAAALDH1A1MEN1KMT2A
SCHEMBL19297619 0.71 KDM4E (0.42) HPGDTP53KDM4EALDH1A1HSD17B10
SCHEMBL10893728 0.71 TRPM8 (0.55) TP53KDM4EALDH1A1TRPM8MAPT

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-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US 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 (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-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 HPGD 2051/4885TP53 2751/4885GAA 3927/4885

“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.