SCHEMBL9905183

SCHEMBL9905183

O=C(O)NC12CCC(CC1)Cn1c2nc(-c2ncc(Cc3ccc(F)cc3)s2)c(OCc2ccccc2)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
LCK P06239 1/20 0.32
AURKB Q96GD4 1/20 0.32
MAOA P21397 1/20 0.32
NAMPT P43490 2/20 0.32
PREP P48147 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CYP1A2 P05177 2/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL14214196 0.94 CNR2 (0.35) CNR2SMN1; SMN2LCKAURKBMAOA
SCHEMBL9905033 0.88 ALDH1A1 (0.33) CNR2SMN1; SMN2LCKAURKBALDH1A1
SCHEMBL9921590 0.87 PRSS1 (0.34) CNR2SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14122397 0.86 MMP13 (0.34) LCKAURKBNAMPTPREPALDH1A1
SCHEMBL9905364 0.84 MAPT (0.35) CNR2SMN1; SMN2MAOAALDH1A1HPGD
SCHEMBL9905478 0.83 SMN1; SMN2 (0.34) CNR2SMN1; SMN2MAOAALDH1A1HPGD
SCHEMBL9905191 0.79 CNR2 (0.32) CNR2SMN1; SMN2MAOAPREPALDH1A1
SCHEMBL14214195 0.78 PRSS1 (0.35) CNR2SMN1; SMN2MAOAALDH1A1HPGD
SCHEMBL9905325 0.78 SIGMAR1 (0.35) CNR2SMN1; SMN2ALDH1A1RAB9AHPGD
SCHEMBL9905386 0.78 CYP2C9 (0.35) CNR2SMN1; SMN2ALDH1A1MEN1KMT2A

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
US-8846659-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
EP-2649074-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2013-10-16 EP disclosed
US-20120309745-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
WO-2012078844-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 WO 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-20120309745-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CNR2 4810/4885SMN1; SMN2 4431/4885LCK 701/4885

“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.