SCHEMBL22005653

SCHEMBL22005653

Cn1cnc(C(=O)OCc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 1/20 0.52
TDP1 Q9NUW8 5/20 0.50
KMT2A Q03164 4/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ALDH1A1 P00352 6/20 0.47
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAOB P27338 1/20 0.46
ADORA2A P29274 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
POLB P06746 1/20 0.46
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL20260665 0.82 TDP1 (0.50) JMJD6TDP1KMT2ASLC6A2SLC6A3
SCHEMBL9461194 0.78 JMJD6 (0.44) JMJD6KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL20154227 0.77 TDP1 (0.50) JMJD6TDP1KMT2ASLC6A2SLC6A3
SCHEMBL17132103 0.77 TDP1 (0.50) JMJD6TDP1KMT2ASLC6A2SLC6A3
SCHEMBL7101474 0.76 POLB (0.62) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL22005555 0.76 TSHR (0.65) JMJD6TDP1KMT2ASLC6A2SLC6A3
SCHEMBL21538018 0.76 TDP1 (0.66) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL14768871 0.76 TDP1 (0.66) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL21037483 0.75 ALDH1A1 (0.52) JMJD6TDP1KMT2ASLC6A2SLC6A3
SCHEMBL20154228 0.75 MAPT (0.57) JMJD6TDP1KMT2ASLC6A2SLC6A3

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
WO-2024092115-A2 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-02 WO disclosed
US-20230355590-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL CORPORATION (JP) 2023-11-09 US disclosed
US-20230355590-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL CORPORATION (JP) 2023-11-09 US disclosed
WO-2022174796-A1 PYRIMIDINE COMPOUND AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2022-08-25 WO disclosed
US-10874645-B2 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL CORPORATION (JP) 2020-12-29 US disclosed
US-20200155511-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL CORPORATION (JP) 2020-05-21 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 (3 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-20230355590-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE HDAC7, ACHE, BRDT JMJD6 2999/4885TDP1 3193/4885KMT2A 342/4885
US-10874645-B2 Isoxazoline-substituted benzamide compound and pesticide C3AR1, C5, C9 JMJD6 4098/4885TDP1 4037/4885KMT2A 2752/4885
US-20200155511-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE C3AR1, C5, C9 JMJD6 4098/4885TDP1 4037/4885KMT2A 2752/4885

“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.