SCHEMBL5409367

SCHEMBL5409367

CC(C)(C)c1ccc(CNC(=O)c2ccccc2-c2ccccc2C(=O)N(CCC(=O)O)Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
RAB9A P51151 1/20 0.52
NR1H4 Q96RI1 7/20 0.50
EPHX2 P34913 7/20 0.50
HDAC6 Q9UBN7 7/20 0.49
HDAC1 Q13547 6/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
MTTP P55157 1/20 0.45
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 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
SCHEMBL5399096 0.94 CYP1A2 (0.47) LMNARAB9ANR1H4EPHX2HDAC6
SCHEMBL5402275 0.93 HDAC1 (0.55) LMNARAB9ANR1H4EPHX2HDAC6
SCHEMBL5402883 0.91 NR1H4 (0.55) LMNARAB9ANR1H4EPHX2HDAC6
SCHEMBL5392150 0.91 ALDH1A1 (0.53) LMNARAB9ANR1H4EPHX2
SCHEMBL5400848 0.90 CHRNB2 (0.57) LMNARAB9AHDAC6HDAC1CHRNB2
SCHEMBL5405971 0.90 NR1H4 (0.54) LMNARAB9ANR1H4EPHX2CHRNB2
SCHEMBL5409532 0.89 HDAC1 (0.59) HDAC6HDAC1CHRNB2CHRNB4CHRNA3
SCHEMBL5398638 0.86 KMT2A (0.54) LMNARAB9AHDAC6HDAC1CHRNB2
SCHEMBL5399681 0.86 KMT2A (0.54) LMNARAB9AHDAC6HDAC1CHRNB2
SCHEMBL5401104 0.86 ALDH1A1 (0.52) LMNAHDAC6HDAC1CHRNB2CHRNB4

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-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 EP 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB LMNA 308/4885RAB9A 3132/4885NR1H4 546/4885

“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.