SCHEMBL8920045

SCHEMBL8920045

CCC(=O)[C@H](NC(=O)NC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A3 Q01959 1/20 0.41
FPR2 P25090 1/20 0.41
MMP1 P03956 4/20 0.41
MMP3 P08254 4/20 0.41
MMP2 P08253 4/20 0.41
MMP9 P14780 4/20 0.41
MMP14 P50281 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL8919391 0.85 NAALAD2 (0.46) NAALAD2ALDH1A1CYP1A2LMNAPOLB
SCHEMBL12463081 0.84 ALDH1A1 (0.40) ALDH1A1CYP1A2LMNAPOLBMEN1
SCHEMBL21142858 0.83 LMNA (0.51) ALDH1A1CYP1A2LMNAPOLBMEN1
SCHEMBL5743537 0.83 LMNA (0.51) ALDH1A1CYP1A2LMNAPOLBMEN1
SCHEMBL13545121 0.83 MTNR1A (0.46) ALDH1A1CYP1A2LMNAPOLBMEN1
SCHEMBL303413 0.82 FPR2 (0.57) NAALAD2ALDH1A1LMNAKMT2AFPR2
SCHEMBL28295320 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A2LMNAPOLBMEN1
SCHEMBL633778 0.82 FPR2 (0.57) NAALAD2ALDH1A1LMNAKMT2AFPR2
SCHEMBL890110 0.81 TACR3 (0.45) NAALAD2ALDH1A1LMNAKMT2ASLC6A3
SCHEMBL8915495 0.80 CYP2C19 (0.52) ALDH1A1CYP1A2LMNAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 EP disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 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 (3 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 NAALAD2 2518/4885ALDH1A1 365/4885CYP1A2 205/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 NAALAD2 1627/4885ALDH1A1 229/4885CYP1A2 240/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 NAALAD2 1989/4885ALDH1A1 287/4885CYP1A2 390/4885

“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.