SCHEMBL6394374

SCHEMBL6394374

O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.45
MEN1 O00255 1/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BACE1 P56817 1/20 0.43
SRC P12931 1/20 0.43
CHRM2 P08172 1/20 0.43
ROCK2 O75116 1/20 0.43
RECQL P46063 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
WDR5 P61964 1/20 0.42
NPC1 O15118 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
SCHEMBL6396250 1.00 TSHR (0.53) TSHRKMT2AGAAALDH1A1LMNA
SCHEMBL6399238 1.00 TSHR (0.53) TSHRKMT2AGAAALDH1A1LMNA
SCHEMBL6390671 0.99 KMT2A (0.54) TSHRKMT2AGAAALDH1A1LMNA
SCHEMBL6392187 0.97 KMT2A (0.54) TSHRKMT2AGAAALDH1A1LMNA
SCHEMBL6392921 0.92 TSHR (0.50) TSHRKMT2AGAAALDH1A1LMNA
SCHEMBL6393949 0.92 PDE4B (0.44) TSHRKMT2AGAAALDH1A1LMNA
SCHEMBL6391114 0.92 KMT2A (0.49) TSHRKMT2AGAAALDH1A1LMNA
SCHEMBL6390137 0.91 GAA (0.55) TSHRKMT2AGAAALDH1A1LMNA
SCHEMBL6392667 0.91 ALDH1A1 (0.49) TSHRKMT2AGAAALDH1A1LMNA
SCHEMBL6392472 0.91 KMT2A (0.48) TSHRKMT2AGAAALDH1A1LMNA

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 TSHR 4625/4885KMT2A 3412/4885GAA 1718/4885

“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.