SCHEMBL5869863

SCHEMBL5869863

COC(=O)[C@@H](N)Cc1cn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
PTGS2 P35354 1/20 0.51
HDAC10 Q969S8 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PLA2G2A P14555 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
HTR6 P50406 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
SCHEMBL5869869 1.00 KMT2A (0.53) KMT2AALDH1A1LMNAPTGS2HDAC10
SCHEMBL9584105 0.90 KMT2A (0.65) KMT2AALDH1A1LMNAPTGS2HDAC10
SCHEMBL3849471 0.87 KMT2A (0.55) KMT2AALDH1A1PTGS2HDAC10HDAC6
SCHEMBL3854563 0.84 KMT2A (0.52) KMT2AALDH1A1LMNAPTGS2HDAC10
SCHEMBL5870367 0.83 LMNA (0.45) KMT2AALDH1A1LMNAHDAC10HDAC6
SCHEMBL5870366 0.83 LMNA (0.45) KMT2AALDH1A1LMNAHDAC10HDAC6
SCHEMBL5870369 0.83 LMNA (0.45) KMT2AALDH1A1LMNAHDAC10HDAC6
SCHEMBL3851298 0.83 HTR6 (0.56) KMT2AALDH1A1PTGS2HDAC10HDAC6
SCHEMBL3858718 0.82 KMT2A (0.54) KMT2AALDH1A1LMNAMAPTRECQL
SCHEMBL5870273 0.81 HDAC10 (0.50) KMT2AALDH1A1LMNAHDAC10HDAC6

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-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 KMT2A 1880/4885ALDH1A1 1305/4885LMNA 3320/4885

“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.