SCHEMBL1455609

SCHEMBL1455609

COc1ccc(C(=O)Nc2ccc(Oc3ccc(NC(=O)OC(C)(C)C)cc3)c(N)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.55
NPC1 O15118 8/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
TP53 P04637 4/20 0.55
ALDH1A1 P00352 4/20 0.55
HDAC1 Q13547 2/20 0.53
RAF1 P04049 1/20 0.53
ARAF P10398 1/20 0.53
BRAF P15056 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP2C9 P11712 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
HDAC3 O15379 1/20 0.48
EPHA2 P29317 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48

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
SCHEMBL1455377 0.90 KMT2A (0.54) RAB9ANPC1SMN1; SMN2HDAC1BRAF
SCHEMBL1456181 0.90 AR (0.58) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL1455101 0.86 PNLIP (0.46) HDAC1BRAFNAMPTKMT2AMEN1
SCHEMBL1454267 0.86 NPC1 (0.47) RAB9ANPC1SMN1; SMN2TP53HDAC1
SCHEMBL1454431 0.85 TRPV1 (0.50) RAB9AHDAC1RAF1ARAFBRAF
SCHEMBL1453961 0.85 NAMPT (0.46) TP53HDAC1RAF1ARAFBRAF
SCHEMBL7079625 0.85 RAB9A (0.73) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL1456027 0.85 KCNK3 (0.48) RAB9ANPC1TP53HDAC1BRAF
SCHEMBL1455972 0.85 HDAC3 (0.46) RAB9ARAF1BRAFRXFP1KDM4E
SCHEMBL1455538 0.84 USP2 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 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 (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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 RAB9A 571/4885NPC1 37/4885SMN1; SMN2 3135/4885

“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.