SCHEMBL969802

SCHEMBL969802

O=C(c1ccc(Br)cc1)N1CCCOCC1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.72
PHGDH O43175 2/20 0.61
MGLL Q99685 1/20 0.60
POLB P06746 2/20 0.59
TSHR P16473 2/20 0.56
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 3/20 0.55
AKR1C3 P42330 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL3 Q96JM7 1/20 0.54

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
SCHEMBL967889 0.93 HPGD (0.70) HPGDPHGDHMGLLPOLBTSHR
SCHEMBL27797088 0.86 PHGDH (0.64) HPGDPHGDHMGLLPOLBTSHR
SCHEMBL644199 0.84 HPGD (0.92) HPGDMGLLPOLBMAPTKMT2A
SCHEMBL971083 0.84 HPGD (1.00) HPGDPOLBTSHRMAPTKMT2A
SCHEMBL10720943 0.84 PHGDH (0.81) HPGDPHGDHPOLBTSHRMAPT
SCHEMBL25425485 0.84 PHGDH (0.61) HPGDPHGDHPOLBTSHRMAPT
SCHEMBL12947820 0.84 HPGD (0.61) HPGDPHGDHTSHRMAPTALDH1A1
SCHEMBL1448138 0.84 PHGDH (0.61) HPGDPHGDHPOLBTSHRMAPT
Hydrochloric Acid SCHEMBL21590292 0.83 HPGD (0.89) HPGDMGLLPOLBMAPTKMT2A
SCHEMBL24185725 0.83 HPGD (0.96) HPGDPOLBTSHRMAPTKMT2A

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 2051/4885PHGDH 2457/4885MGLL 2362/4885

“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.