SCHEMBL3303670

SCHEMBL3303670

N=C(NN)c1ccc(I)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
TPMT P51580 1/20 0.41
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
GSK3B P49841 1/20 0.35
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC22A3 O75751 1/20 0.33
MPO P05164 1/20 0.32
CYP3A4 P08684 1/20 0.32
KDM5A P29375 1/20 0.32
BLM P54132 1/20 0.32
GFER P55789 1/20 0.32
PMP22 Q01453 1/20 0.32
HIF1A Q16665 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
LMNA P02545 2/20 0.31
OGG1 O15527 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2849627 0.87 MPO (0.39) CA1CA2MPOCYP3A4KDM5A
SCHEMBL13108737 0.80 WDR5 (0.44) MPOCYP3A4KDM5ABLMGFER
SCHEMBL11839172 0.78 PLAU (0.54) CYP3A4HIF1ALMNAKDM4EALDH1A1
SCHEMBL754213 0.78 TPMT (0.42) IDO1TPMTCA1CA2GSK3B
SCHEMBL2945608 0.78 LMNA (0.54) CA1CA2MPOCYP3A4KDM5A
SCHEMBL2949849 0.76 MAOA (0.45) IDO1CA1CA2ALDH1A1
SCHEMBL6962236 0.76 OGG1 (0.56) IDO1CA1CA2GSK3BLMNA
SCHEMBL2953497 0.76 LMNA (0.56) IDO1CA1CA2CYP3A4BLM
SCHEMBL2950699 0.76 ALDH1A1 (0.43) IDO1LMNAKDM4EALDH1A1MAPT
SCHEMBL15149732 0.76 TPMT (0.41) TPMTCA1CA2GSK3BTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101754966-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2013-06-19 CN disclosed
EP-2146984-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-05-30 EP disclosed
CN-101754966-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2010-06-23 CN disclosed
US-7741347-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-7741347-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-7741347-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
EP-2146984-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-01-27 EP disclosed
US-20080311075-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-18 US disclosed
US-20080311075-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-18 US disclosed
US-20080311075-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-18 US disclosed
WO-2008144380-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-27 WO disclosed
WO-2008144380-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-27 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-20080311075-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS IDO1 2816/4885TPMT 300/4885CA1 4434/4885

“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.