SCHEMBL5451185

SCHEMBL5451185

CCc1cc(C)cc(Br)c1C1C(=O)C2CCCN2C1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 4/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 2/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 3/20 0.32
NPC1 O15118 1/20 0.32
ALOX12 P18054 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL3603694 0.88 KMT2A (0.40) KMT2AALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL8575944 0.79 KMT2A (0.46) KMT2AALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL5929382 0.77 ALDH1A1 (0.37) KMT2ARAB9AALDH1A1KDM4EMEN1
SCHEMBL8571183 0.75 KMT2A (0.42) KMT2AALDH1A1MEN1POLB
SCHEMBL14411037 0.69 KMT2A (0.35) KMT2ARAB9AALDH1A1KDM4ECYP2C9
SCHEMBL14411028 0.66 RAB9A (0.35) KMT2ARAB9AALDH1A1GAAPOLB
SCHEMBL5437164 0.66 KMT2A (0.38) KMT2ARAB9AALDH1A1KDM4EPOLB
SCHEMBL4459107 0.66 HPGD (0.31) KMT2AALDH1A1KDM4ENPSR1SMN1; SMN2
SCHEMBL14411036 0.65 KMT2A (0.32) KMT2A
SCHEMBL9535573 0.64 KMT2A (0.36) KMT2AALDH1A1POLB

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-20070225170-A1 2-Halo-6-Alkylphenyl-Substituted Tetramic Acid Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-09-27 US disclosed
EP-1682501-A2 2-HALOGEN-6-ALKYL-PHENYL SUBSTITUTED TETRAMIC ACID DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2006-07-26 EP disclosed
WO-2005044791-A2 2-HALOGEN-6-ALKYL-PHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-19 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-20070225170-A1 2-Halo-6-Alkylphenyl-Substituted Tetramic Acid Derivatives DDT, HDHD5, TBCA KMT2A 2835/4885RAB9A 1747/4885ALDH1A1 2113/4885

“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.