SCHEMBL3534558

SCHEMBL3534558

c1cc(-c2ccsc2-c2ccncc2)ccn1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.79
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS1 P23219 10/20 0.46
LMNA P02545 1/20 0.43
PTGS2 P35354 8/20 0.43
POLB P06746 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
SCHEMBL1354127 0.93 MAPK14 (0.69) MAPK14MAPTKDM4ECYP1A2CYP3A4
SCHEMBL5254380 0.89 MAPK14 (1.00) MAPK14PTGS1PTGS2
SCHEMBL8274926 0.84 MAPK14 (0.64) MAPK14MAPTPTGS1PTGS2
SCHEMBL3834215 0.82 MAPK14 (0.57) MAPK14MAPTKDM4ECYP1A2CYP3A4
SCHEMBL1681771 0.76 PTGS2 (0.65) MAPK14PTGS1PTGS2
SCHEMBL1356427 0.76 MAPK14 (0.50) MAPK14MAPTKDM4ECYP1A2CYP3A4
SCHEMBL9812737 0.76 MAPK14 (0.50) MAPK14MAPTKDM4ECYP1A2CYP3A4
SCHEMBL1425244 0.76 CYP2A6 (0.62) MAPK14MAPTKDM4ECYP1A2CYP3A4
SCHEMBL23212775 0.75 MAPK14 (0.50) MAPK14MAPTKDM4ELMNAPOLB
SCHEMBL2782853 0.74 PTGS2 (0.68) MAPK14PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118943354-A Positive electrode material, preparation method thereof, positive electrode plate, battery and power utilization device 宁德时代新能源科技股份有限公司 2024-11-12 CN claimed
CN-118943354-A Positive electrode material, preparation method thereof, positive electrode plate, battery and power utilization device 宁德时代新能源科技股份有限公司 2024-11-12 CN disclosed
US-20220098217-A1 COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE LT MATERIALS CO., LTD. (KR) 2022-03-31 US disclosed
US-7714099-B2 Luminescent compositions and their uses HITACHI CHEMICAL CO., LTD. (JP) 2010-05-11 US disclosed
US-20060083945-A1 New luminescent compositions and their uses HITACHI CHEMICAL CO. LTD. (JP) 2006-04-20 US disclosed
WO-2006041221-A1 NEW LUMINESCENT COMPOSITIONS AND THEIR USES HITACHI CHEMICAL CO., LTD. (JP) 2006-04-20 WO disclosed
EP-0668277-B1 Bipyridyl-oligothiophene derivatives as electron-conducting materials VALTION TEKNILLINEN (FI) 1998-11-04 EP disclosed
US-5556524-A DIAGNOSTICS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 1996-09-17 US disclosed
EP-0668277-A1 Bipyridyl-oligothiophene derivatives as electron-conducting materials VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 1995-08-23 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-20060083945-A1 New luminescent compositions and their uses OCIAD1, NLRP3, OCIAD2 MAPK14 2491/4885MAPT 71/4885KDM4E 4019/4885
US-20220098217-A1 COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE AOX1, OXER1, OR51E2 MAPK14 773/4885MAPT 2875/4885KDM4E 3241/4885

“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.