SCHEMBL6076672

SCHEMBL6076672

COC(=O)C(O)=CC(=O)N(Cc1ccc(Cl)cc1)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MEN1 O00255 8/20 0.41
KMT2A Q03164 8/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
BCL2A1 Q16548 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.38
PTPRC P08575 1/20 0.38
PTPN1 P18031 1/20 0.38
USP30 Q70CQ3 1/20 0.38
APEX1 P27695 1/20 0.37

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
SCHEMBL6076671 1.00 TSHR (0.44) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6412487 0.91 BCL2A1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6412482 0.91 BCL2A1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6076559 0.86 TSHR (0.45) TSHRMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6076555 0.86 TSHR (0.45) TSHRMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6416924 0.86 MEN1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL6416927 0.86 MEN1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL6414935 0.85 BCL2A1 (0.48) MEN1KMT2ATDP1BCL2A1POLB
SCHEMBL6414940 0.85 BCL2A1 (0.48) MEN1KMT2ATDP1BCL2A1POLB
SCHEMBL6077322 0.85 USP30 (0.46) TSHRMEN1KMT2ASMN1; SMN2LMNA

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
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
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 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 (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 TSHR 4830/4885MEN1 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.