SCHEMBL10097504

SCHEMBL10097504

CCN(CC)C(=O)Nc1ccc(-c2c(N)c3ccc(OCCOC)cc3n2CC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCHR1 Q99705 1/20 0.37
PDGFRB P09619 2/20 0.36
POLB P06746 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.35
S1PR3 Q99500 1/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 1/20 0.35
PFKFB2 O60825 1/20 0.35
NSD2 O96028 1/20 0.35
PFKFB1 P16118 1/20 0.35

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
SCHEMBL10097509 0.94 ROCK2 (0.38) RAB9ANPC1MEN1KMT2AMCHR1
SCHEMBL13152850 0.90 NPC1 (0.44) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL13151840 0.89 NPC1 (0.39) RAB9ANPC1MEN1KMT2AMCHR1
SCHEMBL10097521 0.88 ROCK2 (0.36) RAB9ANPC1MEN1KMT2AMCHR1
SCHEMBL10096636 0.87 PDGFRB (0.41) RAB9ANPC1MEN1KMT2AMCHR1
SCHEMBL10097553 0.86 MTNR1B (0.40) RAB9ANPC1MEN1KMT2APDGFRB
SCHEMBL13151832 0.86 KCNQ2 (0.40) RAB9ANPC1MEN1KMT2APDGFRB
SCHEMBL10097575 0.86 MTOR (0.40) PDGFRBTP53ATMS1PR3ROCK2
SCHEMBL13151851 0.85 SMN1; SMN2 (0.41) RAB9ANPC1MEN1KMT2APDGFRB
SCHEMBL13052706 0.85 NPC1 (0.42) RAB9ANPC1MEN1KMT2AMCHR1

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-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS RAB9A 2829/4885NPC1 87/4885MEN1 4800/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP RAB9A 2969/4885NPC1 514/4885MEN1 4860/4885

“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.