SCHEMBL9150145

SCHEMBL9150145

c1cc(CSCc2ccncc2)ccn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.70
CYP1A2 P05177 4/20 0.70
CYP2D6 P10635 4/20 0.70
CYP2C9 P11712 4/20 0.70
CYP2C19 P33261 4/20 0.70
ALDH1A1 P00352 1/20 0.70
HSD17B10 Q99714 1/20 0.70
LOXL2 Q9Y4K0 2/20 0.50
ALPG P10696 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
LMNA P02545 1/20 0.46
DAO P14920 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DDAH1 O94760 1/20 0.41

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
SCHEMBL28902097 0.87 CYP2C19 (0.67) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8412649 0.85 CYP3A4 (0.58) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9130586 0.85 CYP3A4 (0.58) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29259554 0.82 CYP3A4 (1.00) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22922266 0.81 CYP1A2 (0.60) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
Ristianol SCHEMBL10352649 0.81 CYP2C19 (0.60) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8410259 0.81 CYP2C19 (0.60) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9867262 0.81 CYP1A2 (0.60) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18781368 0.81 CYP1A2 (0.60) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31058798 0.79 CYP1A2 (0.58) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104530417-A Multifunctional H-type polyethylene glycol derivative and preparation method thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104530415-A Hetero-functionalized Y-type polyethylene glycol derivative, preparation method and biologically related substance thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104109235-A Mono-functionalized polyethylene glycol with nitrogen atom branched center and its preparation method and biologically-relevant matter XIAMEN SINOPEG BIOTECH CO LTD 2014-10-22 CN claimed
CN-118222001-A Calcium-zinc composite heat stabilizer for PVC and application thereof 山东利凯塑胶有限公司 2024-06-21 CN disclosed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
CN-104725628-A Single functional branched polyethylene glycol containing degradable radical, preparation method and biorelevant substance of single functional branched polyethylene glycol XIAMEN SINOPEG BIOTECH CO LTD 2015-06-24 CN disclosed
CN-104530417-A Multifunctional H-type polyethylene glycol derivative and preparation method thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN disclosed
CN-104530415-A Hetero-functionalized Y-type polyethylene glycol derivative, preparation method and biologically related substance thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN disclosed
CN-104530413-A Biologically related substances modified by multifunctional H-type polyethylene glycol derivative XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN disclosed
CN-104109235-A Mono-functionalized polyethylene glycol with nitrogen atom branched center and its preparation method and biologically-relevant matter XIAMEN SINOPEG BIOTECH CO LTD 2014-10-22 CN disclosed
US-5475024-A Useful in treating liver disease EISAI CO., LTD. (JP) 1995-12-12 US disclosed
US-5292901-A Benzodioxole derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
EP-0281098-B1 BENZODIOXOLE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME, AND THE USE OF THE SAME FOR THE MANUFACTURE OF MEDICAMENTS Eisai Co., Ltd. (JP) 1992-11-25 EP disclosed
US-5110956-A Liver disorders EISAI CO., LTD. (JP) 1992-05-05 US disclosed
EP-0281098-A1 Benzodioxole derivatives, compositions comprising the same, and the use of the same for the manufacture of medicaments Eisai Co., Ltd. (JP) 1988-09-07 EP 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 (2 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-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 CYP3A4 2743/4885CYP1A2 3574/4885CYP2D6 3820/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 CYP3A4 2743/4885CYP1A2 3574/4885CYP2D6 3820/4885

“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.