SCHEMBL402118

SCHEMBL402118

CCc1ccc(-c2ccc(C(=O)NCCNOC(=O)NCCNC(C)=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HDAC1 Q13547 5/20 0.46
HDAC2 Q92769 5/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC3 O15379 4/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC4 P56524 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.44
PLK1 P53350 1/20 0.43
TAOK1 Q7L7X3 4/20 0.42
TAOK3 Q9H2K8 3/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 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
SCHEMBL4237233 0.87 HDAC3 (0.45) RAB9ANPC1HDAC3ALDH1A1TDP1
SCHEMBL401126 0.83 LMNA (0.54) RAB9ANPC1SMN1; SMN2L3MBTL1HDAC1
SCHEMBL1096805 0.82 MEN1 (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL19103014 0.78 PLK1 (0.56) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL404935 0.77 PLK1 (0.54) RAB9ANPC1SMN1; SMN2HDAC1HDAC2
SCHEMBL402119 0.77 SMN1; SMN2 (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL404814 0.74 MEN1 (0.40) MEN1KMT2AALDH1A1TDP1TAOK1
SCHEMBL23154455 0.73 RAB9A (0.56) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL24386165 0.72 PLK1 (0.65) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6360077 0.71 PLK1 (0.63) KMT2AL3MBTL1HDAC1HDAC2HDAC3

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-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 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 (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-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS RAB9A 557/4885NPC1 371/4885MEN1 2414/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS RAB9A 557/4885NPC1 371/4885MEN1 2414/4885

“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.