SCHEMBL10097482

SCHEMBL10097482

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.43
NPC1 O15118 8/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
CASP1 P29466 1/20 0.43
HPGD P15428 5/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EGFR P00533 2/20 0.41
KDR P35968 2/20 0.41
TP53 P04637 2/20 0.40
KMT2A Q03164 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 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
SCHEMBL13151851 0.95 SMN1; SMN2 (0.41) RAB9ANPC1SMN1; SMN2CASP1HPGD
SCHEMBL13151832 0.93 KCNQ2 (0.40) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL13152851 0.92 TP53 (0.38) RAB9ANPC1SMN1; SMN2CASP1MAPT
SCHEMBL13151852 0.92 LMNA (0.38) RAB9ANPC1SMN1; SMN2CASP1MAPT
SCHEMBL10097405 0.92 RAB9A (0.44) RAB9ANPC1SMN1; SMN2CASP1HPGD
SCHEMBL13151840 0.92 NPC1 (0.39) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL13151831 0.90 SMN1; SMN2 (0.39) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL10097701 0.89 RAB9A (0.45) RAB9ANPC1SMN1; SMN2CASP1HPGD
SCHEMBL10097429 0.88 SMN1; SMN2 (0.41) RAB9ANPC1SMN1; SMN2CASP1HPGD
SCHEMBL13151843 0.88 TP53 (0.45) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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 87/4885SMN1; 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.