SCHEMBL6519944

SCHEMBL6519944

C[C@H](O)c1nc2ccc3ccccc3c2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 3/20 0.40
HTT P42858 3/20 0.40
MEN1 O00255 2/20 0.40
TYMS P04818 2/20 0.39
KIF11 P52732 1/20 0.39
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38
IDO1 P14902 1/20 0.38
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
MLKL Q8NB16 1/20 0.37
RAB9A P51151 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL6514887 0.81 CYP1A2 (0.44) CYP1A2ALDH1A1ALOX15KMT2AHTT
SCHEMBL14643309 0.78 MLKL (0.41) CYP1A2ALDH1A1ALOX15KMT2AHTT
SCHEMBL10644678 0.74 TYMS (0.60) CYP1A2ALDH1A1HTTTYMSKIF11
SCHEMBL6515025 0.73 CYP1A2 (0.53) CYP1A2ALDH1A1ALOX15KMT2AHTT
SCHEMBL6516334 0.72 CYP1A2 (0.47) CYP1A2ALDH1A1ALOX15KMT2AHTT
SCHEMBL17153975 0.70 KIF11 (0.44) ALDH1A1KMT2AHTTMEN1TYMS
SCHEMBL2673705 0.70 IDO1 (0.72) CYP1A2ALDH1A1ALOX15KMT2AHTT
SCHEMBL2674618 0.70 IDO1 (0.72) CYP1A2ALDH1A1ALOX15KMT2AHTT
SCHEMBL29537224 0.70 IDO1 (0.72) CYP1A2ALDH1A1ALOX15KMT2AHTT
SCHEMBL250817 0.70 IDO1 (0.72) CYP1A2ALDH1A1ALOX15KMT2AHTT

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.