SCHEMBL23979111

SCHEMBL23979111

COC(=O)c1c(Cl)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
TSHR P16473 2/20 0.62
EPHX2 P34913 1/20 0.57
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
APEX1 P27695 1/20 0.53
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
MAOB P27338 1/20 0.49
CCR2 P41597 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL23979143 0.86 EPHX2 (0.59) LMNATSHREPHX2HDAC4HDAC1
SCHEMBL23978806 0.85 EPHX2 (0.69) LMNATSHREPHX2HDAC4HDAC1
SCHEMBL23978689 0.84 NPC1 (0.55) HPGDAPEX1MEN1KMT2AGAA
SCHEMBL23979113 0.84 EPHX2 (0.57) LMNATSHREPHX2HDAC4HDAC1
SCHEMBL23978695 0.83 ROCK2 (0.51) LMNAHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL7235420 0.83 LMNA (0.65) LMNATSHREPHX2HDAC4HDAC1
SCHEMBL8108036 0.82 EPHX2 (0.79) LMNATSHREPHX2HDAC4HDAC1
SCHEMBL23978773 0.82 EPHX2 (0.49) LMNATSHREPHX2HPGDMEN1
SCHEMBL23978716 0.82 MMP13 (0.68) LMNAHPGDSMN1; SMN2APEX1ALDH1A1
SCHEMBL23979140 0.82 EPHX2 (0.54) LMNATSHREPHX2HDAC4HDAC1

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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 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 (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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 LMNA 2041/4885TSHR 3073/4885EPHX2 1037/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 LMNA 2041/4885TSHR 3073/4885EPHX2 1037/4885

“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.