SCHEMBL5645681

SCHEMBL5645681

CC(=O)N(C)c1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.34
TACR1 P25103 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGER4 P35408 6/20 0.33
CACNA2D1 P54289 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32
HTT P42858 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL4788174 0.93 TACR1 (0.34) IDH1TACR1TDP1PTGER4CACNA2D1
SCHEMBL4693711 0.92 TACR1 (0.37) IDH1TACR1TDP1PTGER4MMP1
SCHEMBL14573792 0.91 IDH1 (0.36) IDH1TACR1TDP1PTGER4CACNA2D1
SCHEMBL14573824 0.91 PTGER4 (0.36) TACR1PTGER4LMNATSHRHTT
SCHEMBL4693298 0.89 HTT (0.38) IDH1TACR1TDP1ALDH1A1LMNA
SCHEMBL14573776 0.89 TACR1 (0.32) IDH1TACR1TDP1PTGER4CACNA2D1
SCHEMBL14573777 0.88 IDH1 (0.34) IDH1PTGER4CACNA2D1MMP1MMP2
SCHEMBL14573778 0.87 IDH1 (0.34) IDH1PTGER4CACNA2D1LMNAHTT
SCHEMBL4691016 0.87 PTGER4 (0.38) PTGER4
SCHEMBL12378082 0.86 IDH1 (0.34) IDH1PTGER4CACNA2D1LMNAL3MBTL1

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-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 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-20070072831-A1 Integrase inhibitor compounds TYMP, CDKN1A, PAICS IDH1 104/4885TACR1 4662/4885TDP1 48/4885

“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.