SCHEMBL21775901

SCHEMBL21775901

CCCCCCCC(=O)NCOc1cc(C)nn1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 4/20 0.51
SOAT1 P35610 4/20 0.51
EPHX2 P34913 3/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
FAAH O00519 2/20 0.44
KMT2A Q03164 1/20 0.43
ASAH1 Q13510 1/20 0.43
NTRK1 P04629 1/20 0.43
MAPT P10636 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
LMNA P02545 1/20 0.42
STAT1 P42224 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL21775898 1.00 SOAT2 (0.51) SOAT2SOAT1EPHX2ALDH1A1L3MBTL1
SCHEMBL21774130 0.87 HPGD (0.48) ALDH1A1L3MBTL1ATMMAPTLMNA
SCHEMBL21774357 0.86 ALDH1A1 (0.51) ALDH1A1L3MBTL1ATMKMT2ANTRK1
SCHEMBL25763347 0.83 SOAT2 (0.46) SOAT2SOAT1ALDH1A1L3MBTL1ATM
SCHEMBL21774356 0.83 SOAT2 (0.46) SOAT2SOAT1ALDH1A1L3MBTL1ATM
SCHEMBL21774129 0.82 ALDH1A1 (0.49) ALDH1A1L3MBTL1ATMNTRK1MAPT
SCHEMBL21774134 0.81 NTRK1 (0.50) ALDH1A1L3MBTL1ATMKMT2ANTRK1
SCHEMBL21753650 0.79 GAA (0.57) ALDH1A1L3MBTL1ATMKMT2ANTRK1
SCHEMBL21774368 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1ATMNTRK1MAPT
SCHEMBL21774366 0.78 ALDH1A1 (0.49) ALDH1A1L3MBTL1ATMNTRK1MAPT

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 4 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
CN-110857285-B Substituted pyrazole compound, preparation method, pharmaceutical composition and application thereof 江苏万高药业股份有限公司 2022-12-20 CN 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 SOAT2 1946/4885SOAT1 2134/4885EPHX2 4446/4885

“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.