SCHEMBL6392187

SCHEMBL6392187

O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCC3)co2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
GAA P10253 2/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.44
BACE1 P56817 1/20 0.44
SRC P12931 1/20 0.44
ROCK2 O75116 1/20 0.43
TP53 P04637 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
WDR5 P61964 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL6390671 0.98 KMT2A (0.54) KMT2AGAATSHRALDH1A1LMNA
SCHEMBL6396250 0.97 TSHR (0.53) KMT2AGAATSHRALDH1A1LMNA
SCHEMBL6394374 0.97 TSHR (0.53) KMT2AGAATSHRALDH1A1LMNA
SCHEMBL6399238 0.97 TSHR (0.53) KMT2AGAATSHRALDH1A1LMNA
SCHEMBL6391114 0.94 KMT2A (0.49) KMT2AGAATSHRALDH1A1LMNA
SCHEMBL6398655 0.94 L3MBTL1 (0.53) KMT2AGAATSHRALDH1A1LMNA
SCHEMBL6392921 0.93 TSHR (0.50) KMT2AGAATSHRALDH1A1LMNA
SCHEMBL6392880 0.92 TSHR (0.53) KMT2AGAATSHRALDH1A1LMNA
SCHEMBL6393534 0.92 KMT2A (0.48) KMT2AGAATSHRALDH1A1LMNA
SCHEMBL6390548 0.91 KMT2A (0.50) KMT2AGAATSHRALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-02-03 US claimed
WO-2003090680-A2 NOVEL PHENYL DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2003-11-06 WO claimed
US-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-02-03 US disclosed
WO-2003090680-A2 NOVEL PHENYL DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2003-11-06 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-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis BAX, BAD, CASP3 KMT2A 3412/4885GAA 1718/4885TSHR 4625/4885

“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.