SCHEMBL21775803

SCHEMBL21775803

CN(C)c1ccc(OCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.62
LRRK2 Q5S007 1/20 0.60
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
NOX1 Q9Y5S8 1/20 0.50
PTGER1 P34995 2/20 0.49
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
MCL1 Q07820 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EGFR P00533 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
SGMS2 Q8NHU3 1/20 0.46

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
SCHEMBL21774384 0.88 LRRK2 (0.56) FOLH1LRRK2ALDH1A1L3MBTL1KDM4E
SCHEMBL21775715 0.84 LRRK2 (0.51) FOLH1LRRK2ALDH1A1L3MBTL1KDM4E
SCHEMBL1647381 0.81 FOLH1 (0.67) FOLH1LRRK2ALDH1A1L3MBTL1KDM4E
SCHEMBL1646958 0.81 LRRK2 (0.63) FOLH1LRRK2ALDH1A1L3MBTL1KDM4E
SCHEMBL344398 0.80 FOLH1 (0.70) FOLH1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL10089235 0.80 FOLH1 (0.69) FOLH1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL9865227 0.79 FOLH1 (0.51) FOLH1LRRK2ALDH1A1L3MBTL1KDM4E
SCHEMBL384896 0.79 FOLH1 (0.68) FOLH1LRRK2ALDH1A1L3MBTL1KDM4E
SCHEMBL344833 0.79 FOLH1 (0.68) FOLH1ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL1649243 0.79 FOLH1 (0.68) FOLH1ALDH1A1L3MBTL1KDM4EPOLB

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-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof JIANGSU VANGUARD PHARMACEUTICAL CO., LTD. (CN) 2023-07-04 US disclosed
US-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof JIANGSU VANGUARD PHARMACEUTICAL CO., LTD. (CN) 2023-07-04 US disclosed
WO-2020038279-A1 SUBSTITUTED PYRAZOLE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 天津谷堆生物医药科技有限公司 2020-02-27 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-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof FARS2, GOT2, HADHB FOLH1 4130/4885LRRK2 615/4885ALDH1A1 2197/4885

“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.