SCHEMBL10097281

SCHEMBL10097281

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.47
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
AURKA O14965 1/20 0.43
CYP2C19 P33261 1/20 0.42
RORC P51449 1/20 0.42
KISS1R Q969F8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
MCHR1 Q99705 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
HCRTR1 O43613 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 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
SCHEMBL10097256 0.93 MTNR1B (0.44) MTNR1AMTNR1BKDM4EMAPTHPGD
SCHEMBL10095511 0.91 KISS1R (0.42) MTNR1BKDM4EMAPTHPGDALDH1A1
SCHEMBL10095483 0.91 MAPT (0.47) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL10097288 0.90 MTNR1A (0.47) MTNR1AMTNR1BKDM4EMAPTALDH1A1
SCHEMBL10095515 0.90 MTNR1A (0.44) MTNR1AMTNR1BKDM4EMAPTHPGD
SCHEMBL10095532 0.90 MAPT (0.42) MTNR1AMTNR1BKDM4EMAPTHPGD
SCHEMBL10095487 0.88 HPGD (0.43) MTNR1AMTNR1BKDM4EMAPTHPGD
SCHEMBL10095585 0.87 ALDH1A1 (0.45) IKBKBMTNR1BKDM4EMAPTHPGD
SCHEMBL981888 0.87 MAPK1 (0.48) MTNR1AMTNR1BKDM4EMAPTHPGD
SCHEMBL10095493 0.87 ALDH1A1 (0.43) MTNR1AMTNR1BKDM4EMAPTHPGD

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 IKBKB 1357/4885MTNR1A 555/4885MTNR1B 489/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP IKBKB 247/4885MTNR1A 908/4885MTNR1B 827/4885

“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.