SCHEMBL146703

SCHEMBL146703

O=C(NC1(c2nc3cnccc3[nH]2)CC1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
KDM4C Q9H3R0 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
P2RX7 Q99572 1/20 0.38
ROCK2 O75116 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
NAMPT P43490 2/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
MAP4K1 Q92918 1/20 0.36
GRIN2B Q13224 1/20 0.36
CYP3A4 P08684 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
SCHEMBL142186 0.80 PRMT5 (0.44) POLBKMT2ACTSLCTSBCTSS
SCHEMBL2395204 0.73 CTSB (0.47) POLBLMNACTSLCTSBCTSS
SCHEMBL30759187 0.73 POLB (0.42) POLBITGB3ITGA2BLMNAKMT2A
SCHEMBL2391134 0.73 CTSS (0.42) POLBCTSLCTSBCTSS
SCHEMBL12259705 0.72 ALDH1A1 (0.40) POLBITGB3ITGA2BCTSLCTSB
SCHEMBL2394757 0.72 CTSS (0.45) POLBLMNACTSLCTSBCTSS
SCHEMBL2389829 0.72 CTSS (0.45) POLBLMNACTSLCTSBCTSS
SCHEMBL21760459 0.70 CTSL (0.45) POLBLMNACTSLCTSBCTSS
SCHEMBL16545238 0.69 ALDH1A1 (0.45) POLBLMNAKMT2ATDP1P2RX7
SCHEMBL14705997 0.69 P2RX7 (0.47) POLBLMNAKMT2AP2RX7CTSL

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
EP-2545051-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-04-19 EP disclosed
CN-102892767-A Compounds for the treatment of hepatitis c BRISTOL MYERS SQUIBB CO (US) 2013-01-23 CN disclosed
EP-2545051-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP disclosed
US-8354410-B2 Compounds for the treatment of hepatitis C BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-20120059019-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
WO-2011112769-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 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-20120059019-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 POLB 921/4885ITGB3 1148/4885ITGA2B 2095/4885

“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.