SCHEMBL10241879

SCHEMBL10241879

CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NCc4cccnc4)c3)cc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.55
CYP2C8 P10632 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.50
KCNH2 Q12809 2/20 0.48
NR1I2 O75469 1/20 0.47
AURKA O14965 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 2/20 0.45
ROCK2 O75116 2/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL13457736 0.91 SMN1; SMN2 (0.51) CYP3A4CYP2C8SMN1; SMN2AURKANPSR1
SCHEMBL10241839 0.91 CYP3A4 (0.54) CYP3A4CYP2C8KCNH2NR1I2AURKA
SCHEMBL10240127 0.90 CYP3A4 (0.53) CYP3A4CYP2C8KCNH2NR1I2AURKA
SCHEMBL10240130 0.90 CYP3A4 (0.51) CYP3A4CYP2C8KCNH2NR1I2AURKA
SCHEMBL10241688 0.89 CYP3A4 (0.49) CYP3A4CYP2C8KCNH2NR1I2AURKA
SCHEMBL10241684 0.87 CYP3A4 (0.47) CYP3A4CYP2C8KCNH2NR1I2AURKA
SCHEMBL1917481 0.87 CYP3A4 (0.49) CYP3A4CYP2C8KCNH2NR1I2AURKA
SCHEMBL1919283 0.86 CYP3A4 (0.50) CYP3A4CYP2C8KCNH2NR1I2ALDH1A1
SCHEMBL10240178 0.85 CYP3A4 (0.57) CYP3A4CYP2C8KCNH2NR1I2ALDH1A1
SCHEMBL10241876 0.84 CYP3A4 (0.54) CYP3A4CYP2C8SMN1; SMN2KCNH2NR1I2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326633-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2015-12-16 EP disclosed
US-8722688-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-20130197012-A1 Compounds for the Treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2013-08-01 US disclosed
US-20130197012-A1 Compounds for the Treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2013-08-01 US disclosed
US-20120316126-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-13 US disclosed
US-20120316126-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-13 US disclosed
US-8309558-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-8309558-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
US-8048887-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-01 US disclosed
US-8048887-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-01 US disclosed
US-20110256099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-10-20 US disclosed
US-20110256099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-10-20 US disclosed
US-7994171-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-7994171-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-20100249094-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 US disclosed
US-20100249094-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 US disclosed
US-20100093694-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-20100093694-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 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 (6 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-20100249094-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP3A4 299/4885CYP2C8 85/4885SMN1; SMN2 3594/4885
US-20120316126-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP3A4 299/4885CYP2C8 85/4885SMN1; SMN2 3594/4885
US-20130197012-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP3A4 299/4885CYP2C8 85/4885SMN1; SMN2 3594/4885
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 CYP3A4 299/4885CYP2C8 85/4885SMN1; SMN2 3594/4885
US-20100093694-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP3A4 299/4885CYP2C8 85/4885SMN1; SMN2 3594/4885
US-20110256099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP3A4 299/4885CYP2C8 85/4885SMN1; SMN2 3594/4885

“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.