SCHEMBL10249312

SCHEMBL10249312

CCn1c(C#Cc2ccc(NC(=O)C3CCC3)cc2)c(N)c2ccc(OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
ENPP3 O14638 2/20 0.40
ENPP1 P22413 2/20 0.40
ENPP2 Q13822 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CASP3 P42574 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
HTT P42858 1/20 0.40
TNF P01375 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL10249955 0.96 MTNR1A (0.46) MTNR1AMTNR1BNPC1RAB9AMEN1
SCHEMBL13151697 0.91 ALDH1A1 (0.42) MTNR1AMTNR1BMEN1KMT2ALMNA
SCHEMBL10095366 0.88 MEN1 (0.43) MTNR1AMTNR1BNPC1RAB9AMEN1
SCHEMBL10254331 0.88 PFKFB3 (0.49) NPC1RAB9AMEN1KMT2A
SCHEMBL13151698 0.87 MTNR1A (0.44) MTNR1AMTNR1BMEN1KMT2ALMNA
SCHEMBL10097591 0.86 SMN1; SMN2 (0.42) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL10097656 0.85 PFKFB2 (0.48) MTNR1AMTNR1BNPC1RAB9AMEN1
SCHEMBL13152055 0.85 MTNR1A (0.46) MTNR1AMTNR1BNPC1RAB9AMEN1
SCHEMBL10249424 0.84 RAB9A (0.46) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL13153378 0.84 NPC1 (0.42) MTNR1AMTNR1BNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 MTNR1A 555/4885MTNR1B 489/4885NPC1 297/4885

“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.