SCHEMBL970744

SCHEMBL970744

COc1ncccc1-c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.49
FEN1 P39748 1/20 0.49
DHODH Q02127 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
BTK Q06187 1/20 0.46
NAAA Q02083 2/20 0.46
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
FFAR4 Q5NUL3 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
SLC6A3 Q01959 1/20 0.41
HKDC1 Q2TB90 1/20 0.41

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
SCHEMBL12864093 0.84 NPC1 (0.55) ALOX5APFEN1DHODHLOXL2BTK
SCHEMBL4056518 0.84 DHODH (0.54) ALOX5APFEN1DHODHLOXL2BTK
SCHEMBL13422264 0.83 DHODH (0.53) ALOX5APFEN1DHODHLOXL2BTK
SCHEMBL29501236 0.83 BTK (0.50) ALOX5APFEN1DHODHLOXL2BTK
SCHEMBL6262670 0.83 ALOX5AP (0.47) ALOX5APFEN1DHODHLOXL2BTK
SCHEMBL15674356 0.82 NPC1 (0.56) ALOX5APFEN1DHODHLOXL2BTK
SCHEMBL29501268 0.82 NPC1 (0.56) ALOX5APFEN1DHODHLOXL2BTK
SCHEMBL15674574 0.82 DHODH (0.47) ALOX5APFEN1DHODHLOXL2BTK
SCHEMBL7499757 0.81 NAAA (0.52) ALOX5APFEN1DHODHLOXL2BTK
SCHEMBL4705 0.81 LOXL2 (0.47) ALOX5APFEN1DHODHLOXL2BTK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103443079-A Fluoropyridone derivatives useful as antibacterial agents PFIZER 2013-12-11 CN disclosed
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 ALOX5AP 3569/4885FEN1 3364/4885DHODH 3449/4885

“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.