SCHEMBL62998

SCHEMBL62998

Cn1nc(C(C)(C)C)cc1C(=O)NC12CCC(CC1)n1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 3/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 1/20 0.44
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KCNE1 P15382 1/20 0.40
CCR1 P32246 1/20 0.40
KCNQ1 P51787 1/20 0.40
KCNH2 Q12809 1/20 0.40
NR2F2 P24468 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL64102 0.83 KCNH2 (0.46) LMNATSHRCYP2C9SMN1; SMN2KCNE1
SCHEMBL2634091 0.82 KCNH2 (0.45) CYP2C9SMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL63395 0.81 CYP2C9 (0.53) LMNATSHRCYP2C9SMN1; SMN2KCNE1
SCHEMBL63098 0.81 KCNH2 (0.47) LMNATSHRCYP2C9SMN1; SMN2KCNE1
SCHEMBL63007 0.79 KCNE1 (0.56) LMNATSHRHTTCYP2C9SMN1; SMN2
SCHEMBL62973 0.79 KCNH2 (0.49) LMNATSHRCYP2C9SMN1; SMN2KCNE1
SCHEMBL63759 0.79 CYP2C9 (0.45) LMNACYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL62969 0.76 KCNH2 (0.47) CYP2C9SMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL63394 0.76 KCNH2 (0.40) LMNACYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL13691759 0.76 GALR3 (0.43) GALR3RAB9ALMNATSHRHTT

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-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG GALR3 4481/4885RAB9A 3210/4885LMNA 1838/4885

“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.