SCHEMBL10097272

SCHEMBL10097272

CCn1c(-c2cccc(OC)c2)c(C#N)c2ccc(C(N)=O)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
GRIA2 P42262 1/20 0.43
GRIA4 P48058 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
HCRTR1 O43613 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ROCK2 O75116 2/20 0.41
GRIK2 Q13002 3/20 0.41
PIP4K2A P48426 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
SCHEMBL10095480 0.92 PARP1 (0.47) PARP1GRIA2GRIA4KDM4EMAPT
SCHEMBL2881153 0.87 GRIK2 (0.47) PARP1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL10097274 0.86 ALDH1A1 (0.49) KDM4EMAPTHPGDNPC1RAB9A
SCHEMBL10097236 0.86 GRIK2 (0.51) GRIA2GRIA4KDM4EMAPTHPGD
SCHEMBL982391 0.82 GRIK2 (0.41) GRIA2GRIA4KDM4EMAPTHPGD
SCHEMBL10095310 0.82 PARP1 (0.44) PARP1KDM4EMAPTHPGDNPC1
SCHEMBL10097273 0.81 KMT2A (0.39) KDM4EHPGDNPC1SMN1; SMN2KMT2A
SCHEMBL10095740 0.81 GRIK2 (0.56) PARP1KDM4ENPC1RAB9AMEN1
SCHEMBL10095481 0.80 YWHAH (0.45) KDM4EMAPTHPGDNPC1RAB9A
SCHEMBL980966 0.80 GRIK2 (0.47) GRIA2GRIA4KDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 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 (2 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS PARP1 2583/4885GRIA2 4407/4885GRIA4 4236/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PARP1 2191/4885GRIA2 4368/4885GRIA4 4329/4885

“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.