SCHEMBL25101396

SCHEMBL25101396

CCCCCCCC(C)(CCCCCC)C1=NOC(c2ccccc2)(c2ccccc2)C1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
OPRM1 P35372 3/20 0.31
OPRL1 P41146 3/20 0.31
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
EPHX2 P34913 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL25101382 0.99 MMP2 (0.32) MMP2MMP3MMP9CYP2C9CYP2C19
SCHEMBL25101335 0.77 TSHR (0.32)
SCHEMBL25101255 0.77 CRBN (0.36) MEN1KMT2AOPRM1OPRL1OPRK1
SCHEMBL18479352 0.66 CYP2C19 (0.44) CYP2C19MEN1KMT2AEPHX2
SCHEMBL13043137 0.65 KDM4E (0.41) MEN1KMT2AOPRM1OPRL1OPRK1
SCHEMBL3092364 0.65 CYP2C19 (0.42) CYP2C19MEN1KMT2ATDP1
SCHEMBL3085827 0.64 CYP2C19 (0.41) CYP2C19MEN1KMT2A
Ethane SCHEMBL21837210 0.63 CYP2C19 (0.44) CYP2C19MEN1KMT2A
SCHEMBL24177247 0.62 OPRM1 (0.34) KMT2AOPRM1OPRL1OPRD1OPRK1
SCHEMBL9524036 0.61 SIGMAR1 (0.41) CYP2C19MEN1KMT2AEPHX2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-03-09 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 (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-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF TH, CYP4X1, CYP4B1 MMP2 1986/4885MMP3 3850/4885MMP9 2997/4885

“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.