SCHEMBL6077672

SCHEMBL6077672

Fc1ccc(C=NOCCCCl)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FAAH O00519 11/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
PLA2G7 Q13093 1/20 0.40
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL6877540 0.89 PLA2G7 (0.41) L3MBTL1MEN1KMT2AMAPTTDP1
SCHEMBL14262702 0.79 PLA2G7 (0.45) L3MBTL1MAPTFAAHLMNASMN1; SMN2
SCHEMBL6077148 0.77 KMT2A (0.41) L3MBTL1MEN1KMT2AMAPTTDP1
SCHEMBL6077675 0.74 CYP1A2 (0.49) L3MBTL1MEN1KMT2AMAPTFAAH
SCHEMBL6077681 0.74 CYP1A2 (0.49) L3MBTL1MEN1KMT2AMAPTFAAH
SCHEMBL19952888 0.73 MGLL (0.43) MAPTFAAHLMNASMN1; SMN2HTT
SCHEMBL16922670 0.73 MGLL (0.43) MAPTFAAHLMNASMN1; SMN2HTT
SCHEMBL13381378 0.72 HDAC1 (0.46) FAAHLMNASMN1; SMN2PLA2G7RECQL
SCHEMBL6077013 0.72 HDAC3 (0.56) LMNAHDAC1HDAC2
SCHEMBL31476451 0.72 FAAH (0.45) MAPTFAAHLMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF L3MBTL1 2246/4885MEN1 4784/4885KMT2A 736/4885

“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.