SCHEMBL1454847

SCHEMBL1454847

Nc1cc(NC(=O)c2ccccc2)ccc1Sc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 2/20 0.49
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
KCNK3 O14649 2/20 0.48
KCNK9 Q9NPC2 2/20 0.48
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
PLAU P00749 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
PTPN1 P18031 1/20 0.44
TP53 P04637 2/20 0.44

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
SCHEMBL1455344 0.93 NQO2 (0.50) DEGS1MAPTTDP1KMT2APOLB
SCHEMBL1454936 0.90 MEN1 (0.52) DEGS1MAPTKMT2APKMKDM4E
SCHEMBL11957604 0.89 MAPT (0.47) MAPTTDP1KCNK3KCNK9KMT2A
SCHEMBL1455484 0.88 ALDH1A1 (0.57) MAPTTDP1KCNK3KCNK9KMT2A
SCHEMBL1454120 0.88 TP53 (0.51) MAPTTDP1KMT2APOLBKDM4E
SCHEMBL1455121 0.88 MAPT (0.57) MAPTTDP1KMT2AKDM4ENPC1
SCHEMBL1455605 0.87 DEGS1 (0.50) DEGS1MAPTTDP1KMT2APOLB
SCHEMBL1455535 0.87 NPC1 (0.47) MAPTTDP1KMT2APOLBNPC1
SCHEMBL1455933 0.87 NPC1 (0.64) MAPTKCNK3KCNK9KMT2APOLB
SCHEMBL1454271 0.87 KCNK3 (0.51) MAPTKCNK3KCNK9KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102702193-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN disclosed
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
CN-101384591-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN 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 DEGS1 4085/4885MAPT 1347/4885TDP1 4336/4885

“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.