SCHEMBL21774384

SCHEMBL21774384

COC(=O)c1cc(N(C)C)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.56
PTPN2 P17706 2/20 0.55
PTPN1 P18031 2/20 0.55
PTPN6 P29350 2/20 0.55
PTPRF P10586 1/20 0.52
PTPN11 Q06124 1/20 0.52
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 2/20 0.50
NOX1 Q9Y5S8 1/20 0.50
LMNA P02545 1/20 0.49
APP P05067 2/20 0.48
FOLH1 Q04609 1/20 0.48
KDM4E B2RXH2 3/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMPD1 P17405 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL21775803 0.88 FOLH1 (0.62) LRRK2ALDH1A1HPGDMAPTNOX1
SCHEMBL21775715 0.86 LRRK2 (0.51) LRRK2PTPN2PTPN1PTPN6PTPRF
SCHEMBL11563262 0.82 MAOB (0.56) LRRK2ALDH1A1HPGDLMNAFOLH1
SCHEMBL11565369 0.82 LRRK2 (0.59) LRRK2PTPN2PTPN1PTPN6PTPRF
SCHEMBL4416634 0.82 FOLH1 (0.58) PTPN2PTPN1PTPN6ALDH1A1HPGD
SCHEMBL1648333 0.82 LRRK2 (0.62) LRRK2PTPN2PTPN1PTPN6ALDH1A1
SCHEMBL853069 0.81 FOLH1 (0.57) PTPN2PTPN1PTPN6ALDH1A1HPGD
SCHEMBL1646582 0.81 RXRA (0.56) ALDH1A1HPGDLMNAFOLH1KDM4E
SCHEMBL6680832 0.81 HPGD (0.51) PTPN2PTPN1PTPN6ALDH1A1HPGD
SCHEMBL5431545 0.81 LRRK2 (0.63) LRRK2ALDH1A1HPGDLMNAFOLH1

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 LRRK2 615/4885PTPN2 4614/4885PTPN1 4216/4885

“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.