SCHEMBL3192200

SCHEMBL3192200

N#Cc1cc(C#N)cc(OC=O)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.34
KCNH2 Q12809 1/20 0.33
TTR P02766 2/20 0.32
ALB P02768 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
EPAS1 Q99814 1/20 0.31
GPR35 Q9HC97 1/20 0.31
MMP2 P08253 1/20 0.30
MMP3 P08254 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
SCHEMBL27618726 0.88 ALDH1A1 (0.42) GPR35
SCHEMBL13616451 0.86
SCHEMBL16769654 0.83 MRGPRX4 (0.40) MEN1KMT2AGPR35MMP2
SCHEMBL29259916 0.82 RXRA (0.40) EPAS1
SCHEMBL18573171 0.80 ALDH1A1 (0.32)
SCHEMBL195665 0.79 SLC6A2 (0.43) EPAS1
SCHEMBL28184291 0.77 CYP1A1 (0.30)
SCHEMBL195649 0.77 CA2 (0.48) MEN1KMT2ACA1CA2CA9
SCHEMBL12711287 0.72 PARP15 (0.53) KCNH2MEN1KMT2ACA1CA2
SCHEMBL12841314 0.72 MMP2 (0.51) MEN1KMT2ACA1CA2CA9

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
CN-118076592-A SHP2 inhibitor, pharmaceutical composition comprising same and use thereof 北京泰德制药股份有限公司 2024-05-24 CN disclosed
US-9128238-B2 Optical material and molded product thereof MITSUI CHEMICALS, INC. (JP) 2015-09-08 US disclosed
US-20130030136-A1 OPTICAL MATERIAL AND MOLDED PRODUCT THEREOF MITSUI CHEMICALS, INC. (JP) 2013-01-31 US disclosed
US-7659416-B2 Monomolecular conductive complex, conductive self-assembled film and assembly of electrode composed of metal and semiconductor making use of the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-09 US disclosed
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same TOKYO INSTITUTE OF TECHNOLOGY 2009-02-05 US disclosed
EP-1862453-A1 MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME Tokyo Institute of Technology (JP) 2007-12-05 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 (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-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same CNTN1, GAP43, AP3M1 VCAM1 1600/4885KCNH2 85/4885TTR 1095/4885

“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.