SCHEMBL22697013

SCHEMBL22697013

C[C@H](c1ccccc1)n1cncc1COCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GABRA1 P14867 6/20 0.51
GABRB2 P47870 5/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
LMNA P02545 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ABCB11 O95342 1/20 0.51
GABRA2 P47869 1/20 0.51
MAPK1 P28482 1/20 0.50
GPBAR1 Q8TDU6 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6923290 0.84 ALDH1A1 (0.59) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL9805050 0.84 ALDH1A1 (0.59) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL6922657 0.84 ALDH1A1 (0.59) ALDH1A1TDP1GABRA1GABRB2CYP1A2
Hydrochloric Acid SCHEMBL9804972 0.83 MAPK1 (0.56) ALDH1A1TDP1GABRA1GABRB2CYP1A2
Hydrochloric Acid SCHEMBL9804755 0.82 ALDH1A1 (0.57) ALDH1A1TDP1GABRA1GABRB2CYP1A2
Hydrochloric Acid SCHEMBL9804917 0.80 GABRA1 (0.57) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL23472244 0.77 GABRA1 (0.48) ALDH1A1TDP1GABRA1GABRB2CYP1A2
Hydrochloric Acid SCHEMBL6923673 0.77 ALDH1A1 (0.54) ALDH1A1TDP1GABRA1GABRB2CYP1A2
Hydrochloric Acid SCHEMBL9805067 0.77 ALDH1A1 (0.54) ALDH1A1TDP1GABRA1GABRB2CYP1A2
Hydrochloric Acid SCHEMBL6927605 0.77 ALDH1A1 (0.54) ALDH1A1TDP1GABRA1GABRB2CYP1A2

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-20200369621-A1 SUBSTITUTED IMIDAZOLECARBOXYLATE DERIVATIVES AND THE USE THEREOF CHENGDU MFS PHARMA. CO., LTD. (CN) 2020-11-26 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-20200369621-A1 SUBSTITUTED IMIDAZOLECARBOXYLATE DERIVATIVES AND THE USE THEREOF SLC6A13, SLC6A11, SLC6A1 ALDH1A1 396/4885TDP1 3503/4885GABRA1 64/4885

“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.