SCHEMBL6848914

SCHEMBL6848914

O=[C]c1cccc2cc3ccc([N+](=O)[O-])cc3cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 5/20 0.37
ACHE P22303 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSP90AA1 P07900 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
MITF O75030 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
VCAM1 P19320 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL4872767 0.88 TSHR (0.47) TSHRTDP1LMNACYP3A4CYP1A2
SCHEMBL28197400 0.80 TDP1 (0.54) TSHRTDP1LMNACYP3A4ALDH1A1
SCHEMBL28257118 0.80 TDP1 (0.54) TSHRTDP1LMNACYP3A4ALDH1A1
SCHEMBL5167846 0.79 LMNA (0.54) TSHRTDP1LMNACYP3A4ALDH1A1
SCHEMBL31677837 0.79 LMNA (0.54) TSHRTDP1LMNACYP3A4ALDH1A1
SCHEMBL194326 0.79 ALDH1A1 (0.46) CYP3A4CYP1A2ALDH1A1ACHEKMT2A
SCHEMBL2760792 0.79 LMNA (0.54) TSHRTDP1LMNACYP3A4ALDH1A1
SCHEMBL27945645 0.77 ALDH1A1 (0.45) TDP1CYP3A4CYP1A2ALDH1A1ACHE
SCHEMBL28338203 0.77 TSHR (0.54) TSHRTDP1LMNACYP3A4ALDH1A1
SCHEMBL11287217 0.77 ERN1 (0.46) TSHRTDP1LMNACYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US claimed
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP claimed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 US claimed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO claimed
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US disclosed
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 US disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 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-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 TSHR 4573/4885TDP1 3811/4885LMNA 2531/4885

“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.