SCHEMBL21348079

SCHEMBL21348079

CC(CCC(C)c1nc2ccccc2o1)c1nc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
IDO1 P14902 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MLKL Q8NB16 2/20 0.43
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.41
ALPL P05186 2/20 0.41
FPR1 P21462 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL25775949 0.77 NPC1 (0.44) ALDH1A1SMN1; SMN2LMNAHPGDHSD17B10
SCHEMBL6756155 0.77 TAAR1 (0.56) TAAR1ALDH1A1POLBIDO1SMN1; SMN2
SCHEMBL24820635 0.76 TAAR1 (0.52) TAAR1ALDH1A1POLBIDO1SMN1; SMN2
SCHEMBL7098832 0.76 IDO1 (0.57) TAAR1ALDH1A1POLBIDO1SMN1; SMN2
SCHEMBL15085764 0.76 TAAR1 (0.55) TAAR1ALDH1A1POLBIDO1SMN1; SMN2
SCHEMBL27996129 0.75 MAPT (0.42) ALDH1A1SMN1; SMN2LMNAL3MBTL1HPGD
SCHEMBL6753938 0.75 ALDH1A1 (0.60) TAAR1ALDH1A1POLBIDO1SMN1; SMN2
SCHEMBL22623818 0.74 TAAR1 (0.50) TAAR1ALDH1A1POLBIDO1SMN1; SMN2
SCHEMBL13767905 0.74 RAB9A (0.47) ALDH1A1SMN1; SMN2LMNAHPGDTP53
SCHEMBL9963730 0.74 RAB9A (0.47) ALDH1A1SMN1; SMN2LMNAHPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-11560376-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-01-24 US disclosed
US-20210017171-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2021-01-21 US disclosed
US-10793564-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-10-06 US disclosed
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2019-09-12 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 (6 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-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 TAAR1 2658/4885ALDH1A1 3834/4885POLB 4496/4885
US-10793564-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 TAAR1 2658/4885ALDH1A1 3834/4885POLB 4496/4885
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 TAAR1 2658/4885ALDH1A1 3834/4885POLB 4496/4885
US-20210017171-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 TAAR1 2658/4885ALDH1A1 3834/4885POLB 4496/4885
US-11560376-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 TAAR1 2658/4885ALDH1A1 3834/4885POLB 4496/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 TAAR1 1297/4885ALDH1A1 3323/4885POLB 3183/4885

“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.