SCHEMBL970780

SCHEMBL970780

O=C(NCCCO)c1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
ALDH1A1 P00352 2/20 0.62
HSP90AA1 P07900 1/20 0.62
HPGD P15428 1/20 0.62
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
POLB P06746 1/20 0.58
TMEM97 Q5BJF2 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
TSHR P16473 1/20 0.56
OGG1 O15527 1/20 0.55
NFKB1 P19838 1/20 0.54
CASP3 P42574 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 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
SCHEMBL4912134 0.95 POLB (0.66) NPC1RAB9AALDH1A1HSP90AA1HPGD
SCHEMBL9717433 0.90 POLB (0.68) NPC1RAB9AALDH1A1HPGDPOLB
SCHEMBL1665183 0.89 OGG1 (0.59) NPC1RAB9AALDH1A1HSP90AA1HPGD
SCHEMBL9490115 0.89 HSP90AA1 (0.71) NPC1RAB9AALDH1A1HSP90AA1HPGD
SCHEMBL4768144 0.84 HDAC3 (0.71) NPC1RAB9AALDH1A1HSP90AA1HPGD
SCHEMBL3030903 0.84 HSP90AA1 (0.69) NPC1RAB9AALDH1A1HSP90AA1HPGD
SCHEMBL3034137 0.84 HSP90AA1 (0.65) NPC1RAB9AALDH1A1HSP90AA1HPGD
SCHEMBL9862834 0.83 HDAC3 (0.61) NPC1RAB9AALDH1A1HPGDPOLB
SCHEMBL29833827 0.82 POLB (0.74) NPC1RAB9AALDH1A1POLBMAPK1
SCHEMBL14052399 0.82 POLB (0.55) NPC1RAB9AALDH1A1HSP90AA1HPGD

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 NPC1 50/4885RAB9A 377/4885ALDH1A1 2976/4885

“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.