SCHEMBL6516334

SCHEMBL6516334

C[C@H](O)c1nc2ccc(Cl)c(Cl)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
MLKL Q8NB16 1/20 0.35
SCN10A Q9Y5Y9 5/20 0.33
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
IDO1 P14902 1/20 0.32
HCAR1 Q9BXC0 1/20 0.31
GAA P10253 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 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
SCHEMBL18554461 0.84 CYP1A2 (0.45) CYP1A2ALDH1A1ALOX15HTTMEN1
SCHEMBL20378138 0.84 CYP1A2 (0.45) CYP1A2ALDH1A1ALOX15HTTMEN1
SCHEMBL6515025 0.75 CYP1A2 (0.53) CYP1A2ALDH1A1ALOX15HTTMEN1
SCHEMBL3421751 0.73 ALDH1A1 (0.47) ALDH1A1HTTHCAR1GAA
SCHEMBL1625968 0.72 HCAR1 (0.33) HCAR1
SCHEMBL6519944 0.72 CYP1A2 (0.46) CYP1A2ALDH1A1ALOX15HTTMEN1
SCHEMBL7045409 0.72 KDM4E (0.44) ALDH1A1HTTHPGDHCAR1GAA
SCHEMBL13542739 0.71 KDM4E (0.40) CYP1A2ALDH1A1HTTUSP2HPGD
SCHEMBL6512270 0.70 GRM5 (0.46) ALDH1A1ALOX15HTTMEN1KMT2A
SCHEMBL6512272 0.70 GRM5 (0.46) ALDH1A1ALOX15HTTMEN1KMT2A

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-20050148643-A1 Carbamate compositions and methods fo rmodulating the activity of the CHK1 enzyme AGOURON PHARMACEUTICALS, INC. 2005-07-07 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-20050148643-A1 Carbamate compositions and methods fo rmodulating the activity of the CHK1 enzyme CHEK1, CHEK2, RAD1 CYP1A2 3569/4885ALDH1A1 2713/4885ALOX15 1939/4885

“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.