SCHEMBL10097591

SCHEMBL10097591

CCn1c(C#Cc2ccc(NC(=O)C3CCCC3)cc2)c(N)c2ccc(O)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
ALDH1A1 P00352 3/20 0.40
EGLN1 Q9GZT9 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
ENPP3 O14638 2/20 0.38
ENPP1 P22413 2/20 0.38
ENPP2 Q13822 2/20 0.38
PTPN1 P18031 1/20 0.38
GAA P10253 1/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 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
SCHEMBL10249424 0.96 RAB9A (0.46) SMN1; SMN2KDM4ERAB9ANPC1KMT2A
SCHEMBL10095390 0.87 SMN1; SMN2 (0.41) SMN1; SMN2KDM4ERAB9ANPC1KMT2A
SCHEMBL10249312 0.86 MTNR1A (0.42) SMN1; SMN2KDM4ERAB9ANPC1KMT2A
SCHEMBL13152045 0.85 MEN1 (0.47) SMN1; SMN2KDM4ERAB9ANPC1KMT2A
SCHEMBL10250895 0.84 SMN1; SMN2 (0.41) SMN1; SMN2KDM4ERAB9ANPC1KMT2A
SCHEMBL10249955 0.84 MTNR1A (0.46) SMN1; SMN2KDM4ERAB9ANPC1KMT2A
SCHEMBL982113 0.83 SMN1; SMN2 (0.45) SMN1; SMN2KDM4ERAB9ANPC1KMT2A
SCHEMBL10097268 0.83 PTPN1 (0.46) SMN1; SMN2KDM4ERAB9ANPC1KMT2A
SCHEMBL10250915 0.79 HPGD (0.34) SMN1; SMN2LMNAMAPTHPGD
SCHEMBL13152753 0.79 PGR (0.39) NPC1HPGD

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 3 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
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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 (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 SMN1; SMN2 4525/4885KDM4E 3703/4885RAB9A 3975/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP SMN1; SMN2 4565/4885KDM4E 4208/4885RAB9A 2969/4885

“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.