SCHEMBL6415693

SCHEMBL6415693

COC(=O)/C(O)=C/C(=O)N(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LPAR1 Q92633 2/20 0.46
LPAR5 Q9H1C0 2/20 0.46
RCE1 Q9Y256 1/20 0.45
CA12 O43570 6/20 0.45
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA4 P22748 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LIMK1 P53667 1/20 0.43
LIMK2 P53671 1/20 0.43

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
SCHEMBL6415694 1.00 HDAC1 (0.48) HDAC1HDAC6KMT2AMEN1LPAR1
SCHEMBL6418682 0.92 LMNA (0.47) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL6418685 0.92 LMNA (0.47) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL6414268 0.87 CA12 (0.49) KMT2AMEN1LPAR1LPAR5CA12
SCHEMBL6414270 0.87 CA12 (0.49) KMT2AMEN1LPAR1LPAR5CA12
SCHEMBL6418517 0.84 CA12 (0.49) HDAC1HDAC6KMT2AMEN1RCE1
SCHEMBL6418523 0.84 CA12 (0.49) HDAC1HDAC6KMT2AMEN1RCE1
SCHEMBL6076409 0.80 NPC1 (0.54) KMT2AMEN1CA12NPC1RAB9A
SCHEMBL6076406 0.80 NPC1 (0.54) KMT2AMEN1CA12NPC1RAB9A
SCHEMBL6410998 0.80 EGFR (0.43) KMT2ALPAR1LPAR5CA12CA1

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
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 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 (3 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 HDAC1 650/4885HDAC6 2521/4885KMT2A 1208/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 HDAC1 407/4885HDAC6 2328/4885KMT2A 1330/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 HDAC1 407/4885HDAC6 2328/4885KMT2A 1330/4885

“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.