SCHEMBL10249577

SCHEMBL10249577

CCn1c(-c2ccc(NC(=O)OC)cc2)c(N)c2ccc(OCCF)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PFKFB2 O60825 1/20 0.38
NSD2 O96028 1/20 0.38
PFKFB1 P16118 1/20 0.38
PFKFB3 Q16875 1/20 0.38
DOT1L Q8TEK3 1/20 0.38
AS3MT Q9HBK9 1/20 0.38
GRIK2 Q13002 2/20 0.36
GRIK1 P39086 1/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
FAAH O00519 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL10097452 0.93 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL10249891 0.93 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL10250941 0.92 SMN1; SMN2 (0.41) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL13151840 0.91 NPC1 (0.39) NPC1RAB9AMEN1KMT2APFKFB2
SCHEMBL12950158 0.91 HPGD (0.40) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL10097426 0.90 NPC1 (0.36) NPC1RAB9AMEN1KMT2AGRIK2
SCHEMBL13151852 0.90 LMNA (0.38) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL10097557 0.89 ALDH1A1 (0.38) ALDH1A1NPC1RAB9APFKFB2NSD2
SCHEMBL13151775 0.89 ALDH1A1 (0.37) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL10097403 0.89 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AMEN1KMT2A

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 ALDH1A1 591/4885NPC1 297/4885RAB9A 3975/4885

“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.