SCHEMBL10097648

SCHEMBL10097648

CCOc1ccc2c(N)c(-c3ccc(NC(=O)Cc4ccccc4)cc3)n(CC)c2c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
HPGD P15428 1/20 0.58
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NLRP3 Q96P20 1/20 0.44
NPY5R Q15761 2/20 0.44
POLB P06746 3/20 0.43
TP53 P04637 4/20 0.43
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41

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
SCHEMBL13152356 0.92 RAB9A (0.56) SMN1; SMN2RAB9ANPC1HPGDKMT2A
SCHEMBL10097734 0.91 NPY5R (0.48) SMN1; SMN2RAB9ANPC1HPGDKMT2A
SCHEMBL13151745 0.88 POLB (0.45) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL10096736 0.86 RAB9A (0.55) SMN1; SMN2RAB9ANPC1HPGDKMT2A
SCHEMBL10097381 0.86 KMT2A (0.53) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL13151732 0.85 KMT2A (0.52) SMN1; SMN2RAB9ANPC1HPGDKMT2A
SCHEMBL13152226 0.84 FPR2 (0.52) ALDH1A1
SCHEMBL13151783 0.83 MAPT (0.44) SMN1; SMN2RAB9ANPC1HPGDKMT2A
SCHEMBL10097716 0.82 CA12 (0.49) RAB9AKMT2AALDH1A1GAANLRP3
SCHEMBL10097492 0.81 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1HPGDKMT2A

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 6 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-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084435-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-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS SMN1; SMN2 3609/4885RAB9A 2829/4885NPC1 87/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP SMN1; SMN2 4565/4885RAB9A 2969/4885NPC1 514/4885

“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.