SCHEMBL10095367

SCHEMBL10095367

CCn1c(C#Cc2ccc(NC(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MTNR1B P49286 3/20 0.43
PFKFB2 O60825 2/20 0.42
PFKFB1 P16118 2/20 0.42
PFKFB3 Q16875 2/20 0.42
NSD2 O96028 1/20 0.42
DOT1L Q8TEK3 1/20 0.42
AS3MT Q9HBK9 1/20 0.42
LMNA P02545 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41

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
SCHEMBL10095428 0.90 ALDH1A1 (0.43) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL982903 0.90 PFKFB1 (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL10095322 0.89 PFKFB2 (0.47) MAPTKDM4EMTNR1BPFKFB2PFKFB1
SCHEMBL10095377 0.88 PFKFB2 (0.55) MAPTKDM4EPFKFB2PFKFB1PFKFB3
SCHEMBL10095349 0.87 PFKFB2 (0.46) MAPTKDM4ESMN1; SMN2ALDH1A1MTNR1B
SCHEMBL13152172 0.87 MAPT (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL984224 0.86 MTNR1A (0.45) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL10095366 0.84 MEN1 (0.43) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL10095378 0.84 RORC (0.46) MAPTKDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL979508 0.84 MAPT (0.40) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD

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-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
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
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 MAPT 3963/4885KDM4E 433/4885SMN1; SMN2 4841/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MAPT 4416/4885KDM4E 3703/4885SMN1; SMN2 4525/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MAPT 4044/4885KDM4E 4208/4885SMN1; SMN2 4565/4885

“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.