SCHEMBL10097405

SCHEMBL10097405

CCCCOC(=O)Nc1ccc(-c2c(N)c3ccc(OCCCCl)cc3n2CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.44
NPC1 O15118 8/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
HPGD P15428 5/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CASP1 P29466 1/20 0.42
MAPK1 P28482 1/20 0.42
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CASP3 P42574 1/20 0.40

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
SCHEMBL10097429 0.96 SMN1; SMN2 (0.41) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL10097413 0.94 NPC1 (0.39) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL10097430 0.93 ALDH1A1 (0.36) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL10252440 0.93 NPC1 (0.41) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL10097482 0.92 RAB9A (0.43) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL10097426 0.92 NPC1 (0.36) RAB9ANPC1SMN1; SMN2KMT2AFAAH
SCHEMBL13152851 0.89 TP53 (0.38) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL10097422 0.89 RAB9A (0.44) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL10097492 0.88 SMN1; SMN2 (0.43) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL13151851 0.87 SMN1; SMN2 (0.41) RAB9ANPC1SMN1; SMN2HPGDMAPT

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 8 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS RAB9A 3241/4885NPC1 48/4885SMN1; SMN2 4206/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS RAB9A 2829/4885NPC1 87/4885SMN1; SMN2 3609/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS RAB9A 2829/4885NPC1 87/4885SMN1; SMN2 3609/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP RAB9A 2969/4885NPC1 514/4885SMN1; SMN2 4565/4885

“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.