SCHEMBL21774129

SCHEMBL21774129

Cc1cc(OCNC(=O)Cc2ccccc2)n(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ATM Q13315 1/20 0.49
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KLK6 Q92876 1/20 0.47
NTRK1 P04629 2/20 0.46
MAPT P10636 3/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.43
MDM2 Q00987 1/20 0.43

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
SCHEMBL28361285 0.88 LMNA (0.56) ALDH1A1L3MBTL1ATMKDM5AKDM4C
SCHEMBL21774357 0.88 ALDH1A1 (0.51) ALDH1A1L3MBTL1ATMNTRK1MAPT
SCHEMBL21774130 0.86 HPGD (0.48) ALDH1A1L3MBTL1ATMKDM5AKDM4C
SCHEMBL21774134 0.85 NTRK1 (0.50) ALDH1A1L3MBTL1ATMKDM5AKDM4C
SCHEMBL21753650 0.83 GAA (0.57) ALDH1A1L3MBTL1ATMKDM5AKDM4C
SCHEMBL30076376 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1ATMNTRK1MAPT
SCHEMBL21774351 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1ATMKDM5AKDM4C
SCHEMBL21774366 0.82 ALDH1A1 (0.49) ALDH1A1L3MBTL1ATMKDM5AKDM4C
SCHEMBL21775901 0.82 SOAT2 (0.51) ALDH1A1L3MBTL1ATMNTRK1MAPT
SCHEMBL21775898 0.82 SOAT2 (0.51) 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 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 ALDH1A1 2197/4885L3MBTL1 1066/4885ATM 2497/4885

“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.