SCHEMBL4976541

SCHEMBL4976541

CSC[C@H](C)NC(=O)c1c(Br)cccc1C(=O)O.[LiH]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 1/20 0.39
HSP90AA1 P07900 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.36
F2R P25116 2/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.35
PRNP P04156 1/20 0.35

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
SCHEMBL2161257 0.99 KMT2A (0.41) KMT2AMEN1ALDH1A1RAB9AHSP90AA1
SCHEMBL551263 0.99 KMT2A (0.41) KMT2AMEN1ALDH1A1RAB9AHSP90AA1
SCHEMBL4977222 0.97 KMT2A (0.40) KMT2AMEN1ALDH1A1RAB9AHSP90AA1
SCHEMBL551264 0.88 KMT2A (0.44) KMT2AMEN1ALDH1A1RAB9AHSP90AA1
SCHEMBL551626 0.87 KMT2A (0.42) KMT2AMEN1ALDH1A1RAB9AHSP90AA1
Lithium Ion SCHEMBL4976539 0.86 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1HSP90AA1SMN1; SMN2
Lithium Ion SCHEMBL5506027 0.86 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1HSP90AA1SMN1; SMN2
SCHEMBL4977218 0.86 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1HSP90AA1SMN1; SMN2
SCHEMBL4978507 0.84 MEN1 (0.40) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4975149 0.84 ITGB1 (0.43) KMT2AMEN1ALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045727-A1 Chiral 3-Halophthalic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2008-02-21 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-20080045727-A1 Chiral 3-Halophthalic Acid Derivatives HDHD5, CRYZ, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KMT2A 2094/4885MEN1 2447/4885ALDH1A1 834/4885

“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.